Metabolite Description HMDB PubChem ChEBI KEGG METLIN SMILES Superclass Class Subclass Pathway
C00357 N-Acetyl-D-Glucosamine 6-Phosphate HMDB0001062 440996 15784 C00357 5975 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00520 Amino sugar and nucleotide sugar metabolism; map01100 Metabolic pathways; map01130 Biosynthesis of antibiotics; map02060 Phosphotransferase system (PTS)
C00009 Phosphate HMDB0001429 1061 18367 C00009 3231 [O-]P(=O)([O-])[O-] Homogeneous non-metal compounds Non-metal oxoanionic compounds Non-metal phosphates map00190 Oxidative phosphorylation; map00195 Photosynthesis; map01100 Metabolic pathways; map02010 ABC transporters; map02020 Two-component system; map02024 Quorum sensing; map04111 Cell cycle - yeast; map04928 Parathyroid hormone synthesis, secretion and action; map04978 Mineral absorption; map05012 Parkinson disease
C00750 Spermine HMDB0001256 1103 15746 C00750 255 C(CCNCCCN)CNCCCN Organic nitrogen compounds Organonitrogen compounds Amines map00330 Arginine and proline metabolism; map00410 beta-Alanine metabolism; map00480 Glutathione metabolism; map01100 Metabolic pathways; map04976 Bile secretion
HMDB0029222 Urolithin A-3-O-glucuronide HMDB0029222 NA 89099 NA OC1C(O)C(OC2=CC=C3C(OC(=O)C4=CC(O)=CC=C34)=C2)OC(C1O)C(O)=O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
HMDB0029266 Kaempferol 3-O-feruloyl-caffeoyl-sophoroside 7-O-glucoside HMDB0029266 NA NA NA COC1=CC(\C=C\C(=O)OC[C@H]2O[C@@H](O[C@H]3[C@@H](OC4=C(OC5=CC(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)O[C@H](COC(=O)\C=C\C4=CC=C(O)C(O)=C4)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)=CC=C1O Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides NA
HMDB0029265 Kaempferol 3-O-sinapoyl-caffeoyl-sophoroside 7-O-glucoside HMDB0029265 NA NA NA COC1=CC(\C=C\C(=O)OC[C@H]2O[C@@H](O[C@H]3[C@@H](OC4=C(OC5=CC(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)O[C@H](COC(=O)\C=C\C4=CC=C(O)C(O)=C4)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(OC)=C1O Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides NA
HMDB0002429 (3a,5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl-b-D-Glucopyranosiduronic acid HMDB0002429 53477751 NA 6677 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives NA
HMDB0011700 TG(15:0/16:0/20:2(11Z,14Z)) HMDB0011700 53481032 NA NA CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerolipids Triradylcglycerols NA
HMDB0010035 PIP2(16:0/18:0) HMDB0010035 53480226 NA C00626 NA CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)OP(=O)(O)O)OP(=O)(O)O)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositol phosphates NA
HMDB0006994 CDP-DG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0006994 53477937 NA NA CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids CDP-glycerols NA
HMDB0011771 Cer(d18:0/26:0) HMDB0011771 644245 52962 NA CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Ceramides NA
HMDB0007122 DG(16:0/24:0/0:0) HMDB0007122 53478031 NA NA CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0013406 PC(o-16:0/20:0) HMDB0013406 24779297 NA NA CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C null null null NA
HMDB0009707 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) HMDB0009707 53479982 NA C00350 NA CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0034375 (3b,5b,22a,25R)-Furostane-22-methoxy-3,26-diol 3-[glucosyl-(1->2)-glucoside] 26-glucoside HMDB0034375 NA NA NA COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
HMDB0032068 Notoginsenoside H HMDB0032068 NA NA NA CC(C)(O)\C=C\CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
HMDB0035455 YGM 4B HMDB0035455 NA NA NA COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C(O)=C3)C(O)C(O)C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C(O)=C3)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)=CC(O)=C2 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides NA
HMDB0007179 DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) HMDB0007179 9543881 NA NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0007961 PC(15:0/P-16:0) HMDB0007961 53478661 NA C00157 NA CCCCCCCCCCCCCC/C=C\OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0008899 PE(15:0/20:0) HMDB0008899 446872 NA C00350 NA CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0029373 Solacauline HMDB0029373 NA NA NA CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OCC(OC2OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
HMDB0006508 Retinoyl CoA HMDB0006508 14232703 NA NA CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O)O)O)/C)/C Lipids and lipid-like molecules Fatty Acyls Fatty acyl thioesters NA
C16328 trans-2-Enoyl-OPC8-CoA HMDB0011122 53480664 NA C16328 NA CC/C=C\C[C@H]1C(CCC1=O)CCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@@H](C([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O)O)O null null null map00592 alpha-Linolenic acid metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
C06416 Precorrin 5 METPA0819 NA NA C06416 NA NA null null null map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways
C02567 N1-Acetylspermine HMDB0001186 916 17312 C02567 3369 CC(=O)NCCCNCCCCNCCCN Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives NULL
HMDB0007088 DG(15:0/22:2(13Z,16Z)/0:0) HMDB0007088 53478017 NA NA CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0007163 DG(18:0/18:3(9Z,12Z,15Z)/0:0) HMDB0007163 9543723 NA NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives NA
HMDB0013341 PC(o-14:0/16:0) HMDB0013341 24779275 NA NA CCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C null null null NA
C06912 Clarithromycin HMDB0015342 84029 3732 C06912 NA CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NULL
HMDB0012312 3-O-Sulfogalactosylceramide (d18:1/14:0) HMDB0012312 53481402 NA C06125 NA CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1C(C([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
C01375 Tacrolimus HMDB0015002 445643 61049 C01375 NA C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC null null null map01052 Type I polyketide structures
C00135 L-Histidine HMDB0000177 6274 15971 C00135 21 C1=C(NC=N1)C[C@@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00340 Histidine metabolism; map00410 beta-Alanine metabolism; map00970 Aminoacyl-tRNA biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01230 Biosynthesis of amino acids; map02010 ABC transporters; map04974 Protein digestion and absorption; map05230 Central carbon metabolism in cancer
HMDB0011767 Cer(d18:0/23:0) HMDB0011767 53481049 NA NA CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Ceramides NA
C00245 Taurine HMDB0000251 1123 15891 C00245 31 C(CS(=O)(=O)O)N Organic acids and derivatives Organic sulfonic acids and derivatives Organosulfonic acids and derivatives map00120 Primary bile acid biosynthesis; map00430 Taurine and hypotaurine metabolism; map00920 Sulfur metabolism; map01100 Metabolic pathways; map02010 ABC transporters; map04080 Neuroactive ligand-receptor interaction
HMDB0014769 Clofarabine HMDB0014769 119182 681569 NA C1=NC2=C(N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)F)N=C(N=C2N)Cl Nucleosides, nucleotides, and analogues Purine nucleosides Purine 2'-deoxyribonucleosides NA
C00392 Mannitol HMDB0000765 6251 16899 C00392 142 C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00051 Fructose and mannose metabolism; map02010 ABC transporters; map02060 Phosphotransferase system (PTS)
HMDB0030928 Tridecanal HMDB0030928 25311 NA NA CCCCCCCCCCCCC=O Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes NA
HMDB0029954 D-glycero-L-galacto-Octulose HMDB0029954 NA NA NA OCC(O)C1OC(O)(CO)C(O)C(O)C1O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
C02076 Sedoheptulose HMDB0003219 102926 130460 C02076 3344 C(C(C(C(C(C(=O)CO)O)O)O)O)O null null null map00710 Carbon fixation in photosynthetic organisms
HMDB0003152 N-Methylnicotinamide HMDB0003152 64950 64399 NA CNC(=O)C1=CN=CC=C1 Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives NA
C00318 L-Carnitine HMDB0000062 2724480 11060 C00318 52 C[N+](C)(C)C[C@H](CC(=O)[O-])O Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts map04714 Thermogenesis; map04976 Bile secretion
HMDB0033556 2,5-Dimethyl-1,4-dithiane-2,5-diol HMDB0033556 62105 NA NA CC1(CSC(CS1)(C)O)O Organoheterocyclic compounds Dithianes null NA
C07062 Ketorolac HMDB0014608 3826 105080 C07062 NA C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O Organic oxygen compounds Organooxygen compounds Carbonyl compounds NULL
C00791 Creatinine HMDB0000562 588 16737 C00791 8 CN1CC(=O)N=C1N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00330 Arginine and proline metabolism; map01100 Metabolic pathways
C03087 5-Acetamidovalerate HMDB0012175 439903 NA C03087 NA CC(=O)NCCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates map00310 Lysine degradation
C02220 2-Aminomuconic acid HMDB0001241 5280499 15745 C02220 321 C(=C\C(=O)O)\C=C(/C(=O)O)\N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00380 Tryptophan metabolism; map01100 Metabolic pathways
HMDB0001904 3-Nitrotyrosine HMDB0001904 65124 44454 6383 C1=CC(=C(C=C1C[C@@H](C(=O)O)N)[N+](=O)[O-])O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C01630 Xylobiose HMDB0029894 NA NA C01630 NA O[C@@H]1CO[C@@H](O[C@H]2COC(O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O null null null map02010 ABC transporters
HMDB0000793 Monoiodothyronine HMDB0000793 53477717 NA 5758 C1=CC(=CC=C1O)OC2=C(C=C(C=C2)C[C@H](C(=O)O)N)I Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C00510 Oleoyl-CoA HMDB0001322 5280355 15534 C00510 6159 CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O null null null map01040 Biosynthesis of unsaturated fatty acids; map01212 Fatty acid metabolism
C00300 Creatine HMDB0000064 586 16919 C00300 7 CN(CC(=O)O)C(=N)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00260 Glycine, serine and threonine metabolism; map00330 Arginine and proline metabolism; map01100 Metabolic pathways
C01004 Trigonelline HMDB0000875 5570 18123 C01004 273 C[N+]1=CC=CC(=C1)C(=O)[O-] Alkaloids and derivatives null null map00760 Nicotinate and nicotinamide metabolism
C01239 N-Acetyl-b-glucosaminylamine HMDB0001104 439454 15947 C01239 6006 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N)CO)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NULL
HMDB0002061 Hyaluronic acid HMDB0002061 53477741 NA C00518 NA CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)OC)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
HMDB0002060 O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose HMDB0002060 22833580 NA NA C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@H]([C@H](C=O)NC(=O)C)[C@H]([C@@H](CO)O)O)CO)O)O)O)O)O Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides NA
HMDB0030043 Isoaustin HMDB0030043 NA NA NA CC1OC(=O)C23C(=C)C(C)(CC4=C(C)C5(C=CC(=O)OC5(C)C)C(CC24C)OC(C)=O)OC(=O)C13O Organic acids and derivatives Carboxylic acids and derivatives Tetracarboxylic acids and derivatives NA
C00041 L-Alanine HMDB0000161 5950 16977 C00041 NA C[C@@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00250 Alanine, aspartate and glutamate metabolism; map00270 Cysteine and methionine metabolism; map00430 Taurine and hypotaurine metabolism; map00450 Selenocompound metabolism; map00473 D-Alanine metabolism; map00710 Carbon fixation in photosynthetic organisms; map00970 Aminoacyl-tRNA biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01200 Carbon metabolism; map01230 Biosynthesis of amino acids; map01502 Vancomycin resistance; map02010 ABC transporters; map04122 Sulfur relay system; map04974 Protein digestion and absorption; map04978 Mineral absorption; map05230 Central carbon metabolism in cancer
C00148 L-Proline HMDB0000162 145742 17203 C00148 29 C1C[C@H](NC1)C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00330 Arginine and proline metabolism; map00332 Carbapenem biosynthesis; map00333 Prodigiosin biosynthesis; map00401 Novobiocin biosynthesis; map00404 Staurosporine biosynthesis; map00970 Aminoacyl-tRNA biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01230 Biosynthesis of amino acids; map02010 ABC transporters; map04974 Protein digestion and absorption; map04978 Mineral absorption; map05230 Central carbon metabolism in cancer
C00507 Rhamnose HMDB0000849 25310 62346 C00507 5812 C[C@H]1[C@@H]([C@H]([C@H](C(O1)O)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00051 Fructose and mannose metabolism; map01120 Microbial metabolism in diverse environments
HMDB0005767 Homoanserine HMDB0005767 20849429 NA NA CN1C=NC=C1C[C@@H](C(=O)O)NC(=O)CCCN Organic acids and derivatives Peptidomimetics Hybrid peptides NA
C05131 Imidazoleacetic acid riboside HMDB0002331 440569 NA C05131 6626 C1=C(N=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)CC(=O)O Nucleosides, nucleotides, and analogues Imidazole ribonucleosides and ribonucleotides null map00340 Histidine metabolism
C00352 Glucosamine 6-phosphate HMDB0001254 439217 15873 C00352 6111 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O null null null map00250 Alanine, aspartate and glutamate metabolism; map00520 Amino sugar and nucleotide sugar metabolism; map01100 Metabolic pathways; map01130 Biosynthesis of antibiotics; map02060 Phosphotransferase system (PTS); map04931 Insulin resistance
C07630 Sulfadoxine HMDB0015413 17134 9329 C07630 NA COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N Benzenoids Benzene and substituted derivatives Benzenesulfonamides NULL
C04547 1,2-Bis(4-hydroxy-3-methoxyphenyl)ethylene HMDB0032847 9548762 36391 C04547 NA COC1=C(C=CC(=C1)/C=C\C2=CC(=C(C=C2)O)OC)O Phenylpropanoids and polyketides Stilbenes null NULL
C00051 Glutathione HMDB0000125 124886 16856 C00051 44 C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N null null null map00270 Cysteine and methionine metabolism; map00480 Glutathione metabolism; map01100 Metabolic pathways; map02010 ABC transporters; map04216 Ferroptosis; map04918 Thyroid hormone synthesis; map04976 Bile secretion
HMDB0034767 (1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid HMDB0034767 3004297 NA NA C1CNC(=S)C1C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3 Alkaloids and derivatives Harmala alkaloids null NA
HMDB0032808 Niazirinin HMDB0032808 NA NA NA CC1OC(OC2=CC=C(CC#N)C=C2)C(O)C(O)C1OC(C)=O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
C00555 4-Aminobutyraldehyde HMDB0001080 118 17769 C00555 3225 C(CC=O)CN null null null map00330 Arginine and proline metabolism; map00410 beta-Alanine metabolism; map01100 Metabolic pathways
C00183 L-Valine HMDB0000883 6287 16414 C00183 5842 CC(C)[C@@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00280 Valine, leucine and isoleucine degradation; map00290 Valine, leucine and isoleucine biosynthesis; map00311 Penicillin and cephalosporin biosynthesis; map00460 Cyanoamino acid metabolism; map00770 Pantothenate and CoA biosynthesis; map00966 Glucosinolate biosynthesis; map00970 Aminoacyl-tRNA biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map02010 ABC transporters; map04974 Protein digestion and absorption; map04978 Mineral absorption; map05230 Central carbon metabolism in cancer
C03343 Monoethylhexyl phthalic acid HMDB0013248 20393 17243 C03343 NA CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives NULL
C03413 N1,N12-Diacetylspermine HMDB0002172 132680 28101 C03413 6525 CC(=O)NCCCNCCCCNCCCNC(=O)C Organic acids and derivatives Carboximidic acids and derivatives Carboximidic acids NULL
HMDB0014536 Ethopropazine HMDB0014536 3290 313639 NA CCN(CC)C(C)CN1C2=CC=CC=C2SC3=CC=CC=C31 Organoheterocyclic compounds Benzothiazines Phenothiazines NA
C17079 3-Bromotyrosine HMDB0005874 148708 NA C17079 NA C1=CC(=C(C=C1CC(C(=O)O)N)Br)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NULL
C05401 Galactosylglycerol HMDB0006790 656504 15754 C05401 NA C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OCC(CO)O)O)O)O)O null null null map00052 Galactose metabolism; map00561 Glycerolipid metabolism
HMDB0028722 Arginyl-Valine HMDB0028722 NA NA NA CC(C)C(NC(=O)C(N)CCCNC(N)=N)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C01613 Stachyose HMDB0003553 439531 17164 C01613 6951 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00052 Galactose metabolism
C00153 Niacinamide HMDB0001406 936 17154 C00153 1497 C1=CC(=CN=C1)C(=O)N Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives map00760 Nicotinate and nicotinamide metabolism; map01100 Metabolic pathways; map04212 Longevity regulating pathway - worm; map04977 Vitamin digestion and absorption
C00506 Cysteic acid HMDB0002757 25701 21260 C00506 332 C(C(C(=O)O)N)S(=O)(=O)O null null null map00270 Cysteine and methionine metabolism; map00430 Taurine and hypotaurine metabolism; map01100 Metabolic pathways; map04080 Neuroactive ligand-receptor interaction
C00666 Diaminopimelic acid HMDB0001370 439283 16026 C00666 352 C(C[C@@H](C(=O)O)N)C[C@@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00300 Lysine biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01230 Biosynthesis of amino acids
C05380 Nicotinuric acid HMDB0003269 68499 7563 C05380 1499 C1=CC(=CN=C1)C(=O)NCC(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00760 Nicotinate and nicotinamide metabolism
C00906 Dihydrothymine HMDB0000079 93556 27468 C00906 5135 CC1CNC(=O)NC1=O Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives NULL
C00073 L-Methionine HMDB0000696 6137 16643 C00073 5664 CSCC[C@@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00270 Cysteine and methionine metabolism; map00966 Glucosinolate biosynthesis; map00970 Aminoacyl-tRNA biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map01523 Antifolate resistance; map04974 Protein digestion and absorption; map04978 Mineral absorption; map05230 Central carbon metabolism in cancer
C00253 Nicotinic acid HMDB0001488 938 15940 C00253 6272 C1=CC(=CN=C1)C(=O)O Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives map00760 Nicotinate and nicotinamide metabolism; map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map05133 Pertussis
C07139 Ticarcillin HMDB0015545 36921 9587 C07139 NA CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CSC=C3)C(=O)O)C(=O)O)C Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NULL
HMDB0031513 (?±)-3-Hydroxynonanoic acid HMDB0031513 36599 NA NA CCCCCCC(CC(=O)O)O Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives NA
HMDB0029200 Ferulic acid 4-sulfate HMDB0029200 6305574 133508 NA COC1=C(C=CC(=C1)/C=C/C(=O)O)OS(=O)(=O)O Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives NA
HMDB0030552 Thelephoric acid HMDB0030552 NA NA NA OC1=CC2=C(C=C1O)C1=C(O2)C(=O)C2=C(OC3=C2C=C(O)C(O)=C3)C1=O Organoheterocyclic compounds Benzofurans null NA
C15699 Gamma-glutamyl-L-putrescine HMDB0012230 20841830 48005 C15699 NA C(CCNC(=O)CC[C@@H](C(=O)O)N)CN Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00330 Arginine and proline metabolism; map01100 Metabolic pathways
C01801 Deoxyribose HMDB0003224 22833604 28816 C01801 3258 C1[C@H]([C@@H](O[C@@H]1O)CO)O null null null map00030 Pentose phosphate pathway
HMDB0028700 Alanyl-Valine HMDB0028700 NA NA NA CC(C)[C@H](NC(=O)[C@H](C)N)C(O)=O null null null NA
C01234 1-Aminocyclopropanecarboxylic acid HMDB0036458 NA 67 C01234 NA NC1(CC1)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00270 Cysteine and methionine metabolism; map01060 Biosynthesis of plant secondary metabolites; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
C00956 Aminoadipic acid HMDB0000510 469 37024 C00956 5496 C(CC(C(=O)O)N)CC(=O)O null null null map00300 Lysine biosynthesis; map00310 Lysine degradation; map00311 Penicillin and cephalosporin biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids
C00314 Pyridoxine HMDB0000239 1054 16709 C00314 5245 CC1=NC=C(C(=C1O)CO)CO Organoheterocyclic compounds Pyridines and derivatives Pyridoxines map00750 Vitamin B6 metabolism; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments
C15471 Bismuth HMDB0002196 105143 33301 C15471 NA [Bi+3] null null null NULL
C00491 L-Cystine HMDB0000192 67678 16283 C00491 5207 C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00270 Cysteine and methionine metabolism; map01100 Metabolic pathways; map02010 ABC transporters; map04216 Ferroptosis; map04974 Protein digestion and absorption
C03149 N-Phosphotaurocyamine METPA0364 NA NA C03149 NA NA null null null map00430 Taurine and hypotaurine metabolism
HMDB0029243 Cyanidin 3-O-(6''-malonyl-arabinoside) HMDB0029243 NA NA NA O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@H]1O Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides NA
C02230 3-Methylguanine HMDB0001566 76292 27564 C02230 NA CN1C2=C(C(=O)N=C1N)NC=N2 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives NULL
C08126 Penicillin V HMDB0014561 6869 27446 C08126 NA CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NULL
C00872 Aminomalonic acid HMDB0001147 100714 17475 C00872 NA C(C(=O)O)(C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NULL
HMDB0032147 Geranylcitronellol HMDB0032147 5365870 NA NA CC(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCO Lipids and lipid-like molecules Prenol lipids Diterpenoids NA
C01530 Stearic acid HMDB0000827 5281 28842 C01530 189 CCCCCCCCCCCCCCCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates map00061 Fatty acid biosynthesis; map01040 Biosynthesis of unsaturated fatty acids; map01060 Biosynthesis of plant secondary metabolites; map04745 Phototransduction - fly
HMDB0011131 MG(18:0/0:0/0:0) HMDB0011131 15560610 NA NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O Lipids and lipid-like molecules Glycerolipids Monoradylglycerols NA
HMDB0031678 Pipericine HMDB0031678 9974234 NA NA CCCCCCCCCCCCC/C=C/C=C/C(=O)NCC(C)C Lipids and lipid-like molecules Fatty Acyls Fatty amides NA
HMDB0035570 6,8-Heneicosanedione HMDB0035570 NA NA NA CCCCCCCCCCCCCC(=O)CC(=O)CCCCC Organic oxygen compounds Organooxygen compounds Carbonyl compounds NA
C06824 Amitriptyline HMDB0014466 2160 2666 C06824 NA CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 Benzenoids Dibenzocycloheptenes null NULL
C17333 3 beta-Hydroxy-5-cholestenoate HMDB0012453 53481407 NA C17333 NA C[C@H](CCCC(C)C(=O)O)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C null null null map00120 Primary bile acid biosynthesis
HMDB0034373 N-(14-Methylhexadecanoyl)pyrrolidine HMDB0034373 6430518 NA NA CCC(C)CCCCCCCCCCCCC(=O)N1CCCC1 Organoheterocyclic compounds Pyrrolidines N-acylpyrrolidines NA
HMDB0006460 Arachidyl carnitine HMDB0006460 53477833 73100 NA CCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C Lipids and lipid-like molecules Fatty Acyls Fatty acid esters NA
C08796 Cucurbitacin D HMDB0034695 5353546 NA C08796 NA CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2CC(C1=O)O)C)C)C(C)(C(=O)/C=C/C(C)(C)O)O)O)C)C null null null NULL
C00114 Choline HMDB0000097 305 15354 C00114 56 C[N+](C)(C)CCO Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts map00260 Glycine, serine and threonine metabolism; map00564 Glycerophospholipid metabolism; map01100 Metabolic pathways; map02010 ABC transporters; map04725 Cholinergic synapse; map04976 Bile secretion; map05231 Choline metabolism in cancer
C00129 Isopentenyl pyrophosphate HMDB0001347 1195 16584 C00129 6181 CC(=C)CCOP(=O)(O)OP(=O)(O)O Lipids and lipid-like molecules Prenol lipids Isoprenoid phosphates map00900 Terpenoid backbone biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01062 Biosynthesis of terpenoids and steroids; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map04216 Ferroptosis
HMDB0011543 MG(0:0/20:1(11Z)/0:0) HMDB0011543 53480963 NA NA CCCCCCCC/C=C\CCCCCCCCCC(=O)OC(CO)CO Lipids and lipid-like molecules Endocannabinoids null NA
HMDB0010167 PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0010167 24779546 NA C02737 NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
C11285 Tridemorph HMDB0031810 32518 NA C11285 NA CCCCCCCCCCCCCN1CC(OC(C1)C)C Organoheterocyclic compounds Oxazinanes Morpholines NULL
HMDB0030594 Edulisin I HMDB0030594 NA NA NA CC(C)=CC(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(=O)\C=C\C1=CC=C(O)C=C1 Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins NA
HMDB0028893 Histidinyl-Proline HMDB0028893 NA NA NA NC(CC1=CN=CN1)C(=O)N1CCCC1C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0011533 MG(0:0/16:0/0:0) HMDB0011533 123409 840954 NA CCCCCCCCCCCCCCCC(=O)OC(CO)CO Lipids and lipid-like molecules Glycerolipids Monoradylglycerols NA
C02140 Corticosterone HMDB0001547 5753 16827 C02140 6314 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids map00140 Steroid hormone biosynthesis; map01100 Metabolic pathways; map04923 Regulation of lipolysis in adipocytes; map04925 Aldosterone synthesis and secretion; map05020 Prion diseases
HMDB0015669 Drotaverine HMDB0015669 1712095 665387 NA CCOC1=C(C=C(C=C1)/C=C\2/C3=CC(=C(C=C3CCN2)OCC)OCC)OCC Organoheterocyclic compounds Tetrahydroisoquinolines null NA
HMDB0035007 Lucuminic acid HMDB0035007 NA NA NA OC1COC(OCC2OC(OC(C(O)=O)C3=CC=CC=C3)C(O)C(O)C2O)C(O)C1O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
HMDB0032521 Stearyl citrate HMDB0032521 11612014 NA NA CCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)O)O Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives NA
HMDB0034539 3-O-cis-Coumaroylmaslinic acid HMDB0034539 5316120 NA NA CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)OC(=O)/C=C\C6=CC=C(C=C6)O)O)C)C)C2C1)C)C(=O)O)C Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
HMDB0029961 Annomuricin A HMDB0029961 157682 NA NA CCCCCCCCCCCCC(C1CCC(O1)C(CCCC(C(CCCCCC(CC2=CC(OC2=O)C)O)O)O)O)O Lipids and lipid-like molecules Fatty Acyls Fatty alcohols NA
HMDB0007698 DG(22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)/0:0) HMDB0007698 9543963 NA NA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
C14833 9,12,13-TriHOME HMDB0004708 9858729 NA C14833 NA CCCCC[C@@H]([C@H](/C=C/[C@H](CCCCCCCC(=O)O)O)O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates map00591 Linoleic acid metabolism
HMDB0007074 DG(15:0/18:2(9Z,12Z)/0:0) HMDB0007074 14275369 NA NA CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives NA
HMDB0031414 2,3-Dimethyl-2-cyclohexen-1-one HMDB0031414 10887898 NA NA CC1=C(C(=O)CCC1)C Organooxygen compounds Carbonyl compounds Ketones NA
HMDB0030002 (-)-Nopol HMDB0030002 31408 525644 NA CC1(C2CC=C(C1C2)CCO)C Lipids and lipid-like molecules Prenol lipids Monoterpenoids NA
C03527 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone HMDB0032913 519382 18015 C03527 NA CC1=C(C(CCC1)(C)C)CCC(=O)C Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids NULL
C07401 Procainamide HMDB0015169 4913 8428 C07401 NA CCN(CC)CCNC(=O)C1=CC=C(C=C1)N Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives NULL
C01126 Farnesol HMDB0004305 445070 16619 C01126 7048 CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C null null null map00900 Terpenoid backbone biosynthesis; map00909 Sesquiterpenoid and triterpenoid biosynthesis; map00981 Insect hormone biosynthesis; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics
HMDB0006736 CE(20:3(8Z,11Z,14Z)) HMDB0006736 53477892 NA C02530 NA CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@H](C)CCCC(C)C)C)C Lipids and lipid-like molecules Steroids and steroid derivatives Steroid esters NA
HMDB0008988 PE(18:0/15:0) HMDB0008988 52924324 NA C00350 NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0008838 PE(14:0/20:4(5Z,8Z,11Z,14Z)) HMDB0008838 52924939 NA C00350 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0013405 PC(o-16:0/18:0) HMDB0013405 11803170 NA NA CCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C null null null NA
HMDB0008189 PC(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0008189 52922819 NA C00157 NA CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0002337 Homophytanic acid HMDB0002337 3080668 NA 6630 CC(C)CCCC(C)CCCC(C)CCCC(C)CCC(=O)O Lipids and lipid-like molecules Prenol lipids Diterpenoids NA
C00486 Bilirubin HMDB0000054 5280352 16990 C00486 81 CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/C=C\4/C(=C(C(=O)N4)C=C)C Organic compounds Organoheterocyclic compounds Tetrapyrroles and derivatives map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04976 Bile secretion
C01561 Calcidiol HMDB0003550 5283731 17933 C01561 6949 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Vitamin D and derivatives map00100 Steroid biosynthesis; map01100 Metabolic pathways; map04928 Parathyroid hormone synthesis, secretion and action; map05152 Tuberculosis
C00836 Sphinganine HMDB0000269 91486 16566 C00836 5268 CCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O Organic nitrogen compounds Organonitrogen compounds Amines map00600 Sphingolipid metabolism; map01100 Metabolic pathways; map04071 Sphingolipid signaling pathway
C08775 Obacunone HMDB0035858 500031 NA C08775 NA CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C null null null NULL
HMDB0031742 4-(2-Nitroethyl)phenyl primeveroside HMDB0031742 NA NA NA OC1COC(OCC2OC(OC3=CC=C(CCN(=O)=O)C=C3)C(O)C(O)C2O)C(O)C1O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
HMDB0012095 SM(d18:0/24:1(15Z)) HMDB0012095 44260133 17636 C00550 NA CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids NA
C00187 Cholesterol HMDB0000067 11025495 1307929 C00187 163 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)O)C)C Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids map00100 Steroid biosynthesis; map00120 Primary bile acid biosynthesis; map00140 Steroid hormone biosynthesis; map00981 Insect hormone biosynthesis; map00984 Steroid degradation; map01066 Biosynthesis of alkaloids derived from terpenoid and polyketide; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map04913 Ovarian steroidogenesis; map04925 Aldosterone synthesis and secretion; map04927 Cortisol synthesis and secretion; map04934 Cushing syndrome; map04975 Fat digestion and absorption; map04976 Bile secretion; map04977 Vitamin digestion and absorption; map04979 Cholesterol metabolism; map05200 Pathways in cancer; map05217 Basal cell carcinoma
HMDB0007382 DG(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) HMDB0007382 9543922 NA NA CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0030494 Spirolide E HMDB0030494 NA NA NA CCC(O)C(\C)=C\C1C(C)=C(CCC1(CCC(C)CN)C(=O)CCCC(=C)CC1CCC(C)(O)C2(CCC3(CC(C)CO3)O2)O1)C1OC(=O)C(C)=C1 Lipids and lipid-like molecules Prenol lipids Terpene lactones NA
C08794 Cucurbitacin B HMDB0034927 5353545 NA C08794 NA CC(=O)OC(C)(C)/C=C/C(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)C)C)C)O)O null null null NULL
HMDB0008150 PC(18:2(9Z,12Z)/22:0) HMDB0008150 52922751 NA C00157 NA CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0029768 Isofucosterol glucoside HMDB0029768 NA NA NA C\C=C(/CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C(C)C Lipids and lipid-like molecules Steroids and steroid derivatives Stigmastanes and derivatives NA
HMDB0008321 PC(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0008321 52923147 NA C00157 NA CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0007057 DG(14:1(9Z)/22:0/0:0) HMDB0007057 53477992 NA NA CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0033334 Antibiotic X 14889D HMDB0033334 NA NA NA CCC(C1OC(C)(CC1C)C12OC(C)C(CC)(CC1C)O2)C(=O)C(C)C(O)C(C)C1OC(O)(CC)C(C)CC1C Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
C03594 7a-Hydroxycholesterol HMDB0001496 53477732 17500 C03594 6280 C[C@H](CCCC(C)C)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3C2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C null null null map00120 Primary bile acid biosynthesis; map01100 Metabolic pathways
HMDB0007069 DG(15:0/16:0/0:0) HMDB0007069 14275229 NA NA CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0010570 PG(16:0/16:0) HMDB0010570 446440 NA NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols NA
HMDB0011552 MG(0:0/22:1(13Z)/0:0) HMDB0011552 6438186 NA NA CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC(CO)CO Lipids and lipid-like molecules Glycerolipids Monoradylglycerols NA
C04840 3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate HMDB0011662 53481018 18134 C04840 NA C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)O)O)C)C null null null NULL
HMDB0007014 DG(14:0/18:1(11Z)/0:0) HMDB0007014 53477952 NA NA CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0008556 PC(22:0/P-18:1(11Z)) HMDB0008556 53479161 NA C00157 NA CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0004879 Trihexosylceramide (d18:1/16:0) HMDB0004879 20057315 NA C04737 7136 CCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)C(/C=C/CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0035154 (2Z,6E)-3,7,11,15,19-Pentamethyl-2,6-eicosadien-1-ol HMDB0035154 57418214 NA NA CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC/C(=C/CO)/C)/C Lipids and lipid-like molecules Prenol lipids Sesterterpenoids NA
C01176 17-Hydroxyprogesterone HMDB0000374 6238 17252 C01176 5363 CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids map00140 Steroid hormone biosynthesis; map01100 Metabolic pathways; map04913 Ovarian steroidogenesis; map04927 Cortisol synthesis and secretion; map04934 Cushing syndrome
HMDB0012097 SM(d18:1/14:0) HMDB0012097 11433862 64486 NA CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids NA
C01753 Beta-Sitosterol HMDB0000852 222284 27693 C01753 169 CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C Lipids and lipid-like molecules Steroids and steroid derivatives Stigmastanes and derivatives map00100 Steroid biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01062 Biosynthesis of terpenoids and steroids; map01110 Biosynthesis of secondary metabolites
HMDB0007866 PC(14:0/14:0) HMDB0007866 5459377 45240 C00157 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0035480 N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide HMDB0035480 NA NA NA CCCCCCCCCCCCCCCC(=O)NC(CO)C(O)\C=C/CC\C=C/CCCCCCCCC Lipids and lipid-like molecules Sphingolipids Ceramides NA
HMDB0009116 PE(18:2(9Z,12Z)/P-18:1(11Z)) HMDB0009116 53479671 NA C00350 NA CCCCCC/C=C\CCCCCCCC/C=C\O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
C01747 Galactosylsphingosine HMDB0000648 22833541 16874 C01747 5620 CCCCCCCCCCCCC/C=C/C(C(COC1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N)O null null null map00600 Sphingolipid metabolism
HMDB0012559 13'-Hydroxy-alpha-tocopherol HMDB0012559 53481465 84962 NA CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)CO)C)O Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids NA
HMDB0011491 LysoPE(0:0/22:1(13Z)) HMDB0011491 53480940 NA NA CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0007868 PC(14:0/15:0) HMDB0007868 24778611 NA C00157 NA CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0007071 DG(15:0/18:0/0:0) HMDB0007071 14275365 NA NA CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0007874 PC(14:0/18:2(9Z,12Z)) HMDB0007874 24778624 NA C00157 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0007117 DG(16:0/22:2(13Z,16Z)/0:0) HMDB0007117 9543792 NA NA CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0007384 DG(20:0/24:1(15Z)/0:0) HMDB0007384 53478200 NA NA CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
C05513 beta-D-3-Ribofuranosyluric acid HMDB0029920 NA 50547 C05513 NA OCC1OC(C(O)C1O)N1C2=C(N=C(O)N2)C(O)=NC1=O null null null map00230 Purine metabolism
HMDB0007861 PA(18:0/18:2(9Z,12Z)) HMDB0007861 24779559 NA C00416 NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates NA
HMDB0004969 Glucosylceramide (d18:1/12:0) HMDB0004969 20057354 NA C01190 7222 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0013464 SM(d18:0/16:1(9Z)) HMDB0013464 53481781 NA C00550 NA CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCC/C=C\CCCCCC)O Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids NA
HMDB0012360 PS(16:0/20:3(8Z,11Z,14Z)) HMDB0012360 52926011 NA NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
HMDB0010697 Cer(t18:0/16:0) HMDB0010697 53480650 NA NA CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](C(CCCCCCCCCCCCCC)O)O Lipids and lipid-like molecules Sphingolipids Ceramides NA
HMDB0008830 PE(14:0/18:3(6Z,9Z,12Z)) HMDB0008830 52924117 NA C00350 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0009314 PE(20:2(11Z,14Z)/P-18:1(11Z)) HMDB0009314 53479740 NA C00350 NA CCCCCC/C=C\CCCCCCCC/C=C\O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0008819 PC(24:1(15Z)/P-18:1(11Z)) HMDB0008819 53479547 NA C00157 NA CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0010379 LysoPC(14:0) HMDB0010379 460604 NA C04230 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0031131 Glycerol 1-(9Z-octadecenoate) 2-tetradecanoate 3-phosphate HMDB0031131 NA NA NA CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\CCCCCCCC)COP(O)(O)=O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates NA
HMDB0012333 PS(14:0/16:1(9Z)) HMDB0012333 52926036 NA NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
HMDB0007869 PC(14:0/16:0) HMDB0007869 129657 NA C00157 NA CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0007881 PC(14:0/20:3(5Z,8Z,11Z)) HMDB0007881 53478605 NA C00157 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0011559 MG(0:0/24:1(15Z)/0:0) HMDB0011559 53480973 NA NA CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC(CO)CO Lipids and lipid-like molecules Glycerolipids Monoradylglycerols NA
HMDB0008850 PE(14:0/P-16:0) HMDB0008850 53479559 NA C00350 NA CCCCCCCCCCCCCC/C=C\O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0007121 DG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) HMDB0007121 9543827 NA NA CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0009144 PE(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0009144 52924410 NA C00350 NA CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0009610 PE(22:4(7Z,10Z,13Z,16Z)/P-18:0) HMDB0009610 53479906 NA C00350 NA CCCCCCCCCCCCCCCC/C=C\O[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0001984 Finasteride HMDB0001984 57363 5062 NA C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids NA
HMDB0007099 DG(16:0/16:1(9Z)/0:0) HMDB0007099 9543678 NA C00165 4264 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0007112 DG(16:0/20:4(5Z,8Z,11Z,14Z)/0:0) HMDB0007112 9543736 NA C00165 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0007872 PC(14:0/18:1(11Z)) HMDB0007872 24778618 NA C00157 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0012335 PS(14:0/18:1(9Z)) HMDB0012335 52926083 NA NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
HMDB0004866 Lactosylceramide (d18:1/12:0) HMDB0004866 20057304 NA C01290 7123 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1C([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)NC(=O)CCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0012336 PS(14:0/18:2(9Z,12Z)) HMDB0012336 52926034 NA NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
HMDB0007984 PC(16:0/20:5(5Z,8Z,11Z,14Z,17Z)) HMDB0007984 24778723 NA C00157 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC null null null NA
HMDB0004971 Glucosylceramide (d18:1/16:0) HMDB0004971 14035030 NA C01190 7224 CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0014394 Idoxuridine HMDB0014394 5905 147675 NA C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)O Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine 2'-deoxyribonucleosides NA
HMDB0004972 Glucosylceramide (d18:1/18:0) HMDB0004972 11958364 NA C01190 7225 CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0032798 (R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol HMDB0032798 NA NA NA CCCCCC(O)CCOC1OC(CO)C(C)C(O)C1OC1OCC(C)(CO)C1O Lipids and lipid-like molecules Fatty Acyls Fatty alcohols NA
HMDB0007889 PC(14:0/22:4(7Z,10Z,13Z,16Z)) HMDB0007889 52922238 NA C00157 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0010382 LysoPC(16:0) HMDB0010382 460602 NA C04230 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0007119 DG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) HMDB0007119 53478030 NA NA CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0010386 LysoPC(18:2(9Z,12Z)) HMDB0010386 11005824 NA C04230 NA CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
C06539 Reserpine HMDB0014351 5770 28487 C06539 NA CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC Alkaloids and derivatives Yohimbine alkaloids null NULL
HMDB0012338 PS(14:0/20:3(8Z,11Z,14Z)) HMDB0012338 52925214 NA NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
HMDB0007880 PC(14:0/20:2(11Z,14Z)) HMDB0007880 52922228 NA C00157 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC null null null NA
HMDB0012984 Kinetensin 1-7 HMDB0012984 53481565 NA NA CC[C@@H](C)[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@@H]2C(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)O)N null null null NA
HMDB0007110 DG(16:0/20:3(5Z,8Z,11Z)/0:0) HMDB0007110 53478028 NA NA CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0008946 PE(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0008946 9546799 NA C00350 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0005780 PE(O-16:1(1Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0005780 5283497 NA C00350 6548 CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
C16667 DG(14:0/14:0/0:0) HMDB0007008 10369168 NA C16667 NA CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NULL
C21480 PE(18:0/20:4(5Z,8Z,11Z,14Z)) HMDB0009003 5289133 NA C21480 NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines map04216 Ferroptosis
HMDB0034601 Hebevinoside XI HMDB0034601 NA NA NA COC1C=C2C(CCC(OC3OCC(O)C(O)C3O)C2(C)C)C2(C)CCC3(C)C(C(C)CCC=C(C)C)C(CC3(C)C12)OC1OC(COC(C)=O)C(OC(C)=O)C(O)C1O Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
HMDB0006972 CDP-DG(16:0/18:2(9Z,12Z)) HMDB0006972 53477916 NA NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids CDP-glycerols NA
HMDB0009149 PE(18:3(6Z,9Z,12Z)/P-18:1(11Z)) HMDB0009149 53479683 NA C00350 NA CCCCCC/C=C\CCCCCCCC/C=C\O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0012339 PS(14:0/20:4(5Z,8Z,11Z,14Z)) HMDB0012339 52926030 NA NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
HMDB0010367 CE(14:1(9Z)) HMDB0010367 53480456 88758 NA CCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@H](C)CCCC(C)C)C)C Lipids and lipid-like molecules Steroids and steroid derivatives Steroid esters NA
C08980 Soyasapogenol B HMDB0034648 429190 NA C08980 NA CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)O)C)C null null null NULL
HMDB0008874 PE(14:1(9Z)/22:0) HMDB0008874 52924152 NA C00350 NA CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0010163 PS(18:0/18:1(9Z)) HMDB0010163 59720717 NA C02737 NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
HMDB0008979 PE(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0008979 52924914 NA C00350 NA CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0008194 PC(18:3(6Z,9Z,12Z)/P-18:1(11Z)) HMDB0008194 53478827 NA C00157 NA CCCCCC/C=C\CCCCCCCC/C=C\OC(COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
C00381 Dolichol-20 HMDB0005176 6433320 16091 C00381 6407 CC(CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCO null null null map00510 N-Glycan biosynthesis; map01062 Biosynthesis of terpenoids and steroids; map01100 Metabolic pathways
HMDB0012321 Galactosylceramide (d18:1/14:0) HMDB0012321 53481406 NA C02686 NA CCCCCCCCCCCCC/C=C\C(C(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0012088 SM(d18:0/18:1(11Z)) HMDB0012088 53481360 17636 C00550 NA CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCC/C=C\CCCCCC)O Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids NA
HMDB0007882 PC(14:0/20:3(8Z,11Z,14Z)) HMDB0007882 52922230 NA C00157 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0007010 DG(14:0/15:0/0:0) HMDB0007010 53477949 NA NA CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0007012 DG(14:0/16:1(9Z)/0:0) HMDB0007012 53477950 NA NA CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0007885 PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z)) HMDB0007885 24778635 NA C00157 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0007066 DG(15:0/14:0/0:0) HMDB0007066 53478001 NA NA CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0007098 DG(16:0/16:0/0:0) HMDB0007098 644078 237189 C00165 4255 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
C03990 Lithocholic acid HMDB0000761 11740284 16325 C03990 209 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC[C@H](C4)O)C)C Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives map00121 Secondary bile acid biosynthesis; map04976 Bile secretion
C13861 DG(16:0/18:1(9Z)/0:0) HMDB0007102 5282283 NA C13861 4260 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NULL
HMDB0033612 Glabrin C HMDB0033612 5317650 NA NA CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C(C)C)CC3=CC=C(C=C3)O)C(C)C)CC(C)C Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0009784 PI(16:0/18:2(9Z,12Z)) HMDB0009784 NA NA C00626 NA [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols NA
HMDB0013480 PGP(16:0/20:3(5Z,8Z,11Z)) HMDB0013480 53481800 NA NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerophosphates NA
HMDB0031675 3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acid HMDB0031675 NA NA NA COC1C=C2C3C(C)C(C)CCC3(CCC2(C)C2(C)CCC3C(C)(C)C(CCC3(C)C12)OC(C)=O)C(=O)OC Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
HMDB0013504 PGP(18:0/18:0) HMDB0013504 49859651 NA NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerophosphates NA
C02477 Alpha-Tocopherol HMDB0001893 14985 18145 C02477 6376 CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)O Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04216 Ferroptosis; map04977 Vitamin digestion and absorption
C00317 Amylopectin HMDB0003255 439207 28057 C00317 3696 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)CO)O)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NULL
C00829 Naphthalene HMDB0029751 931 16482 C00829 NA C1=CC=C2C=CC=CC2=C1 Benzenoids Naphthalenes null map00626 Naphthalene degradation; map00980 Metabolism of xenobiotics by cytochrome P450; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds; map07114 Naphthalene family
HMDB0007139 DG(16:1(9Z)/20:3(5Z,8Z,11Z)/0:0) HMDB0007139 53478040 NA NA CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0007879 PC(14:0/20:1(11Z)) HMDB0007879 52922226 NA C00157 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCC null null null NA
HMDB0030040 Melongoside O HMDB0030040 NA NA NA CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O)COC1OC(CO)C(O)C(O)C1O Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
HMDB0007038 DG(14:1(9Z)/14:1(9Z)/0:0) HMDB0007038 53477973 NA NA CCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0010572 PG(16:0/18:0) HMDB0010572 449008 NA NA CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](CO)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols NA
HMDB0008088 PC(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) HMDB0008088 53478751 NA C00157 NA CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0007016 DG(14:0/18:2(9Z,12Z)/0:0) HMDB0007016 14275352 NA NA CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives NA
HMDB0007161 DG(18:0/18:2(9Z,12Z)/0:0) HMDB0007161 6441562 1215498 C00165 NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives NA
HMDB0031133 1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol HMDB0031133 NA NA NA CCCCCCC\C=C\CCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCC\C=C\CCCCCCC Lipids and lipid-like molecules Glycerolipids Glycosylglycerols NA
HMDB0012404 PS(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)) HMDB0012404 52925469 NA NA CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
HMDB0007988 PC(16:0/22:4(7Z,10Z,13Z,16Z)) HMDB0007988 24778732 NA C00157 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0008383 PC(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)) HMDB0008383 53478987 NA C00157 NA CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0011554 MG(0:0/22:4(7Z,10Z,13Z,16Z)/0:0) HMDB0011554 53480969 NA NA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC(CO)CO Lipids and lipid-like molecules Glycerolipids Monoradylglycerols NA
HMDB0007041 DG(14:1(9Z)/16:1(9Z)/0:0) HMDB0007041 53477976 NA NA CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0029299 Sesamolinol 4'-O-b-D-glucosyl (1->6)-O-b-D-glucoside HMDB0029299 NA NA NA [H][C@]12CO[C@H](C3=CC=C4OCOC4=C3)[C@@]1([H])CO[C@@H]2OC1=CC=C(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C(OC)=C1 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
C01789 Campesterol HMDB0002869 5283637 19809 C01789 167 C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids map00100 Steroid biosynthesis; map00905 Brassinosteroid biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01062 Biosynthesis of terpenoids and steroids; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
HMDB0012356 PS(16:0/18:0) HMDB0012356 52926014 NA NA CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
HMDB0007937 PC(15:0/18:0) HMDB0007937 11787533 NA C00157 NA CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0009644 PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(11Z)) HMDB0009644 53479940 NA C00350 NA CCCCCC/C=C\CCCCCCCC/C=C\O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0007094 DG(15:0/24:1(15Z)/0:0) HMDB0007094 53478023 NA NA CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0007146 DG(16:1(9Z)/22:2(13Z,16Z)/0:0) HMDB0007146 9543802 NA NA CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0008020 PC(16:1(9Z)/22:2(13Z,16Z)) HMDB0008020 52922473 NA C00157 NA CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0007011 DG(14:0/16:0/0:0) HMDB0007011 13734178 NA NA CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
C06098 Zeaxanthin HMDB0002789 5280899 27547 C06098 3602 CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@H](CC2(C)C)O)C)\C)\C)/C)/C Lipids and lipid-like molecules Prenol lipids Tetraterpenoids map00906 Carotenoid biosynthesis; map00999 Biosynthesis of secondary metabolites - unclassified; map01062 Biosynthesis of terpenoids and steroids; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
HMDB0007118 DG(16:0/22:4(7Z,10Z,13Z,16Z)/0:0) HMDB0007118 9543803 NA NA CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0009342 PE(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0009342 53479768 NA C00350 NA CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0009705 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0009705 9546797 NA C00350 NA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0007164 DG(18:0/18:4(6Z,9Z,12Z,15Z)/0:0) HMDB0007164 53478051 NA NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives NA
HMDB0007960 PC(15:0/24:1(15Z)) HMDB0007960 53478659 NA C00157 NA CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
C04376 5'-Phosphoribosyl-N-formylglycinamide HMDB0001308 130805 NA C04376 NA C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CNC=O)O)O)OP(=O)(O)O Nucleosides, nucleotides, and analogues Glycinamide ribonucleotides null map00230 Purine metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics
HMDB0011695 SM(d17:1/24:0) HMDB0011695 52931214 89232 NA CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCC)O Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts NA
HMDB0009050 PE(18:1(11Z)/P-18:1(11Z)) HMDB0009050 53479648 NA C00350 NA CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0029220 lysoPC(26:1(5Z)) HMDB0029220 NA NA NA CCCCCCCCCCCCCCCCCCCC\C=C\CCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0009632 PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) HMDB0009632 53479928 NA C00350 NA CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0008682 PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0008682 53479327 NA C00157 NA CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0009611 PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z)) HMDB0009611 53479907 NA C00350 NA CCCCCC/C=C\CCCCCCCC/C=C\O[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0012102 SM(d18:1/20:0) HMDB0012102 44260124 113818 C00550 NA CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids NA
C00785 Urocanic acid HMDB0000301 736715 30817 C00785 298 C1=C(NC=N1)/C=C/C(=O)O Organoheterocyclic compounds Azoles Imidazoles map00340 Histidine metabolism; map01100 Metabolic pathways
HMDB0010384 LysoPC(18:0) HMDB0010384 497299 NA C04230 NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0007176 DG(18:0/22:4(7Z,10Z,13Z,16Z)/0:0) HMDB0007176 9543859 NA NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0009045 PE(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0009045 53479643 NA C00350 NA CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0008786 PC(24:0/P-18:1(11Z)) HMDB0008786 53479483 NA C00157 NA CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0008086 PC(18:1(11Z)/22:2(13Z,16Z)) HMDB0008086 53478747 NA C00157 NA CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC null null null NA
C14641 CE(18:1(9Z)) HMDB0000918 5283632 46898 C14641 5872 CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C null null null NULL
HMDB0007065 DG(14:1(9Z)/24:1(15Z)/0:0) HMDB0007065 53478000 NA NA CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0007887 PC(14:0/22:1(13Z)) HMDB0007887 53478609 NA C00157 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC null null null NA
HMDB0007022 DG(14:0/20:2(11Z,14Z)/0:0) HMDB0007022 53477957 NA NA CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0008288 PC(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0008288 24779053 NA C00157 NA CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0009309 PE(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0009309 52924602 NA C00350 NA CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
C07517 Methoxyflurane HMDB0015162 4116 384208 C07517 NA COC(C(Cl)Cl)(F)F Organic oxygen compounds Organooxygen compounds Ethers NULL
C12662 Josamycin HMDB0015418 5282165 474015 C12662 NA C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NULL
HMDB0007927 PC(14:1(9Z)/24:1(15Z)) HMDB0007927 53478637 NA C00157 NA CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0034209 Cyclobrassinone HMDB0034209 405275 NA NA COC1=NC(=O)C2=C(S1)NC3=CC=CC=C32 Organoheterocyclic compounds Indoles and derivatives Indoles NA
HMDB0007059 DG(14:1(9Z)/22:2(13Z,16Z)/0:0) HMDB0007059 53477994 NA NA CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0007959 PC(15:0/24:0) HMDB0007959 53478657 NA C00157 NA CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
C00580 Dimethylsulfide HMDB0002303 1068 17437 C00580 6603 CSC Organosulfur compounds Thioethers Dialkylthioethers map00920 Sulfur metabolism
C00758 Bergaptol HMDB0013679 5280371 17377 C00758 NA C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)O Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins map01061 Biosynthesis of phenylpropanoids
C07525 Ketamine HMDB0015352 3821 6121 C07525 NA CNC1(CCCCC1=O)C2=CC=CC=C2Cl Benzenoids Benzene and substituted derivatives Halobenzenes NULL
HMDB0032812 Isofucosterol 3-O-[6-O-Octadecanoyl-b-D-glucopyranoside] HMDB0032812 NA NA NA CCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CC\C(=C/C)C(C)C)C(O)C(O)C1O Lipids and lipid-like molecules Steroids and steroid derivatives Stigmastanes and derivatives NA
HMDB0008062 PC(18:0/P-18:1(11Z)) HMDB0008062 53478707 NA C00157 NA CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0002044 8-Hydroxyguanosine HMDB0002044 65131 1177182 NA C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)N=C(N3)N)NC2=O)O)O)O Nucleosides, nucleotides, and analogues Purine nucleosides null NA
HMDB0004974 Glucosylceramide (d18:1/22:0) HMDB0004974 10373084 62107 C01190 7227 CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0004975 Glucosylceramide (d18:1/24:1(15Z)) HMDB0004975 20057357 NA C01190 7228 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0007013 DG(14:0/18:0/0:0) HMDB0007013 53477951 NA NA CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
C10865 psi-Pelletierine HMDB0034580 11096 NA C10865 NA CN1C2CCCC1CC(=O)C2 Organoheterocyclic compounds Piperidines Piperidinones map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01110 Biosynthesis of secondary metabolites
HMDB0028959 Lysyl-Proline HMDB0028959 NA NA NA NCCCCC(N)C(=O)N1CCCC1C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C00745 L(-)-Nicotine HMDB0001934 89594 17688 C00745 1526 CN1CCC[C@H]1C2=CN=CC=C2 Organoheterocyclic compounds Pyridines and derivatives Pyrrolidinylpyridines map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map00980 Metabolism of xenobiotics by cytochrome P450; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04714 Thermogenesis; map05033 Nicotine addiction
C00437 N-Acetylornithine HMDB0003357 439232 16543 C00437 NA CC(=O)N[C@@H](CCCN)C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00220 Arginine biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids
C00918 Chloramphenicol HMDB0014589 5959 17698 C00918 NA C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] Benzenoids Benzene and substituted derivatives Nitrobenzenes NULL
HMDB0002062 Norepinephrine sulfate HMDB0002062 123747 NA NA C1=CC(=C(C=C1[C@H](CN)O)O)OS(=O)(=O)O Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates NA
HMDB0028903 Isoleucyl-Aspartate HMDB0028903 NA NA NA CCC(C)C(N)C(=O)NC(CC(O)=O)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0011166 L-beta-aspartyl-L-leucine HMDB0011166 3549397 NA NA CC(C)CC(C(=O)O)NC(=O)CC(C(=O)O)N Organic acids and derivatives Peptidomimetics Hybrid peptides NA
C02862 Butyrylcarnitine HMDB0002013 439829 NA C02862 6436 CCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C null null null NULL
C17241 4-Methylthiobutanaldoxime METPA1746 NA NA C17241 NA NA null null null map00966 Glucosinolate biosynthesis; map01110 Biosynthesis of secondary metabolites; map01210 2-Oxocarboxylic acid metabolism
HMDB0030371 Myrtine HMDB0030371 433955 NA NA CC1CC(=O)CC2N1CCCC2 Organoheterocyclic compounds Quinolizines null NA
HMDB0028800 Glutaminylisoleucine HMDB0028800 57315376 NA NA CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)N)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C01425 Glutamylglutamic acid HMDB0028818 439500 5390 C01425 NA C(CC(=O)O)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NULL
C00408 Pipecolic acid HMDB0000070 849 17964 C00408 50 C1CCNC(C1)C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00310 Lysine degradation; map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
C00120 Biotin HMDB0000030 171548 15956 C00120 243 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2 Organoheterocyclic compounds Biotin and derivatives null map00780 Biotin metabolism; map01100 Metabolic pathways; map02010 ABC transporters; map04977 Vitamin digestion and absorption
C00047 L-Lysine HMDB0000182 5962 18019 C00047 5200 C(CCN)C[C@@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00300 Lysine biosynthesis; map00310 Lysine degradation; map00780 Biotin metabolism; map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map00970 Aminoacyl-tRNA biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map02010 ABC transporters; map04974 Protein digestion and absorption
HMDB0028954 Lysyl-Isoleucine HMDB0028954 NA NA NA CCC(C)C(NC(=O)C(N)CCCCN)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C00637 Indoleacetaldehyde HMDB0001190 800 18086 C00637 6068 C1=CC=C2C(=C1)C(=CN2)CC=O Organoheterocyclic compounds Indoles and derivatives Indoles map00380 Tryptophan metabolism; map01100 Metabolic pathways
HMDB0034750 Isopentyl beta-D-glucoside HMDB0034750 17978147 NA NA CC(C)CCOC1C(C(C(C(O1)CO)O)O)O Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides NA
C04886 (N-acetylneuraminosyl(a2-6)lactosamine) HMDB0001081 125128 17725 C04886 5990 CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)O)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NULL
HMDB0006565 Sialyl-Lewis X HMDB0006565 643990 NA NA C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@@H](CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
HMDB0035881 11-Hydroxy-9-tridecenoic acid HMDB0035881 5318367 NA NA CCC(/C=C/CCCCCCCC(=O)O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates NA
HMDB0013021 Neuromedin N (1-4) HMDB0013021 53481582 NA NA CC[C@@H](C)[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@H]([C@H](C)CC)C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0015598 Voglibose HMDB0015598 444020 590151 NA C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC(CO)CO Organic oxygen compounds Organooxygen compounds Alcohols and polyols NA
HMDB0030224 Murrayacinine HMDB0030224 NA NA NA CC(C)=CCCC1(C)OC2=C(C=O)C=C3C(NC4=CC=CC=C34)=C2C=C1 Organoheterocyclic compounds Indoles and derivatives Carbazoles NA
C05791 D-Urobilinogen HMDB0004158 440784 NA C05791 7021 CCC1=C(C(=O)NC1CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C Organoheterocyclic compounds Tetrapyrroles and derivatives Bilirubins map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
C01143 (S)-5-Diphosphomevalonic acid HMDB0001090 439418 15899 C01143 5997 C[C@@](CCOP(=O)(O)OP(=O)(O)O)(CC(=O)O)O Organic oxygen compounds Organic oxoanionic compounds Organic pyrophosphates map00900 Terpenoid backbone biosynthesis; map01062 Biosynthesis of terpenoids and steroids; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics
C07497 Malathion HMDB0014910 4004 6651 C07497 NA CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC Lipids and lipid-like molecules Fatty Acyls Fatty acid esters NULL
HMDB0006227 1-a,24R,25-Trihydroxyvitamin D2 HMDB0006227 9547253 NA NA C[C@H](/C=C/[C@](C)(C(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Vitamin D and derivatives NA
HMDB0002160 Harderoporphyrinogen HMDB0002160 193825 NA 6518 CC1=C2CC3C(=C(C(=N3)CC4C(=C(C(=N4)CC5=NC(CC(=C1CCC(=O)O)N2)C(=C5C)CCC(=O)O)C)C=C)C)CCC(=O)O Organoheterocyclic compounds Tetrapyrroles and derivatives Porphyrins NA
HMDB0030244 Graveolinine HMDB0030244 11044132 NA NA COC1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4 Organoheterocyclic compounds Quinolines and derivatives null NA
HMDB0034784 trans-p-Menthane-1,7,8-triol 8-glucoside HMDB0034784 NA NA NA CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(O)(CO)CC1 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
HMDB0015499 Almitrine HMDB0015499 33887 53778 NA C=CCNC1=NC(=NC(=N1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)NCC=C Benzenoids Benzene and substituted derivatives Diphenylmethanes NA
C00212 Adenosine HMDB0000050 60961 16335 C00212 86 C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O Nucleosides, nucleotides, and analogues Purine nucleosides null map00230 Purine metabolism; map01100 Metabolic pathways; map04022 cGMP-PKG signaling pathway; map04024 cAMP signaling pathway; map04071 Sphingolipid signaling pathway; map04080 Neuroactive ligand-receptor interaction; map04270 Vascular smooth muscle contraction; map04923 Regulation of lipolysis in adipocytes; map04924 Renin secretion; map05012 Parkinson disease; map05032 Morphine addiction; map05034 Alcoholism
C01682 Nopaline METPA0212 NA NA C01682 NA NA null null null map00330 Arginine and proline metabolism; map02010 ABC transporters
HMDB0029323 Citpressine I HMDB0029323 5494827 542817 NA CN1C2=CC(=CC(=C2C(=O)C3=C1C(=C(C=C3)O)OC)O)OC Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines NA
C00294 Inosine HMDB0000195 6021 17596 C00294 84 C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O Nucleosides, nucleotides, and analogues Purine nucleosides null map00230 Purine metabolism; map01100 Metabolic pathways
C06947 Dextromethorphan HMDB0001920 5362449 4470 C06947 NA CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)OC null null null NULL
HMDB0035987 Ganoderic acid H HMDB0035987 NA NA NA CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
C07056 Isoproterenol HMDB0015197 3779 64317 C07056 NA CC(C)NCC(C1=CC(=C(C=C1)O)O)O Benzenoids Phenols Benzenediols map04261 Adrenergic signaling in cardiomyocytes
C02717 Moupinamide HMDB0029365 5280537 17818 C02717 NA COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)O)O Benzenoids Phenols Methoxyphenols NULL
C00611 N-Acetyllactosamine HMDB0001542 439271 16153 C00611 4231 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NULL
C06820 Amikacin HMDB0014622 37768 2637 C06820 NA C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NULL
C00062 L-Arginine HMDB0000517 6322 16467 C00062 5502 C(C[C@@H](C(=O)O)N)CN=C(N)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00220 Arginine biosynthesis; map00261 Monobactam biosynthesis; map00330 Arginine and proline metabolism; map00331 Clavulanic acid biosynthesis; map00472 D-Arginine and D-ornithine metabolism; map00970 Aminoacyl-tRNA biosynthesis; map00999 Biosynthesis of secondary metabolites - unclassified; map01060 Biosynthesis of plant secondary metabolites; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01230 Biosynthesis of amino acids; map02010 ABC transporters; map04150 mTOR signaling pathway; map04974 Protein digestion and absorption; map05014 Amyotrophic lateral sclerosis (ALS); map05132 Salmonella infection; map05142 Chagas disease (American trypanosomiasis); map05146 Amoebiasis; map05230 Central carbon metabolism in cancer
HMDB0029448 DL-Ornithino-L-alanine HMDB0029448 NA NA NA NC(CCCNCC(N)C(O)=O)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C00376 Retinal HMDB0001358 638015 17898 C00376 6188 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C Lipids and lipid-like molecules Prenol lipids Retinoids map00830 Retinol metabolism; map01100 Metabolic pathways; map04744 Phototransduction; map04977 Vitamin digestion and absorption
C07566 Pimozide HMDB0015232 16362 8212 C07566 NA C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F Benzenoids Benzene and substituted derivatives Diphenylmethanes NULL
C12695 Difluprednate HMDB0015676 443936 775700 C12695 NA CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C(=O)COC(=O)C Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids NULL
HMDB0029742 3-Isopropyl-2-methoxy-5-methylpyrazine HMDB0029742 15590168 256036 NA CC1=CN=C(C(=N1)C(C)C)OC Organoheterocyclic compounds Diazines Pyrazines NA
C07315 Sulfamethoxazole HMDB0015150 5329 9332 C07315 NA CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N Benzenoids Benzene and substituted derivatives Benzenesulfonamides NULL
C15485 2'-Deoxymugineic acid HMDB0033909 4641377 19274 C15485 NA C1CN(C1C(=O)O)CCC(C(=O)O)NCCC(C(=O)O)O null null null NULL
C00362 2'-Deoxyguanosine 5'-monophosphate HMDB0001044 65059 16192 C00362 NA C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)O)O Nucleosides, nucleotides, and analogues Purine nucleotides Purine deoxyribonucleotides map00230 Purine metabolism; map01100 Metabolic pathways
C15497 1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide HMDB0011648 11507134 55458 C15497 NA C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NULL
C11168 Tetrabenazine HMDB0015592 6018 64028 C11168 NA CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC Organoheterocyclic compounds Tetrahydroisoquinolines null NULL
HMDB0032472 Polyethylene, oxidized HMDB0032472 24847855 NA NA CC(C(CCCCC=O)O)C(=O)CCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates NA
HMDB0028726 Asparaginyl-Asparagine HMDB0028726 NA NA NA NC(CC(N)=O)C(=O)NC(CC(N)=O)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0034346 4-Deoxyphysalolactone HMDB0034346 NA NA NA CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC(Cl)C4(O)CC=CC(=O)C4(C)C3CCC12C Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones NA
HMDB0000545 Chenodeoxycholic acid disulfate HMDB0000545 13990213 NA 5530 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)OS(=O)(=O)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives NA
HMDB0014401 Lymecycline HMDB0014401 NA 59040 NA [H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCNCCCC[C@H](N)C(O)=O)=C(O)[C@H]2N(C)C Phenylpropanoids and polyketides Tetracyclines null NA
C05635 5-Hydroxyindoleacetic acid HMDB0000763 1826 27823 C05635 2975 C1=CC2=C(C=C1O)C(=CN2)CC(=O)O Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives map00380 Tryptophan metabolism; map01100 Metabolic pathways; map04726 Serotonergic synapse
C13624 Bisphenol A HMDB0032133 6623 33216 C13624 NA CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O Benzenoids Benzene and substituted derivatives Diphenylmethanes map00363 Bisphenol degradation; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments
HMDB0028765 Aspartyl-Tyrosine HMDB0028765 NA NA NA NC(CC(O)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0035165 Cinncassiol A 19-glucoside HMDB0035165 NA NA NA CC(COC1OC(CO)C(O)C(O)C1O)C1=C(C)C2(O)C(O)(C1)C1(C)CC(=O)OC22C(O)C(C)CCC12O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
C04294 5-(2-Hydroxyethyl)-4-methylthiazole HMDB0032985 1136 17957 C04294 NA CC1=C(SC=N1)CCO Organoheterocyclic compounds Azoles Thiazoles map00730 Thiamine metabolism; map01100 Metabolic pathways
C02367 3-Oxododecanoic acid HMDB0010727 439717 18037 C02367 NA CCCCCCCCCC(=O)CC(=O)O Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives NULL
C07445 Pindolol HMDB0015095 4828 8214 C07445 NA CC(C)NCC(COC1=CC=CC2=C1C=CN2)O Organoheterocyclic compounds Indoles and derivatives Indoles NULL
HMDB0029773 6S,9R-Dihydroxy-4,7E-megastigmadien-3-one 9-[apiosyl-(1->6)-glucoside] HMDB0029773 NA NA NA CC(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides NA
HMDB0008898 PE(15:0/18:4(6Z,9Z,12Z,15Z)) HMDB0008898 52924165 NA C00350 NA CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
C05570 Ergothioneine HMDB0003045 5351619 4828 C05570 53 C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)[O-] null null null map00340 Histidine metabolism
C05926 Neopterin HMDB0000845 4455 NA C05926 248 C1=C(N=C2C(=N1)NC(=NC2=O)N)C(C(CO)O)O null null null map00790 Folate biosynthesis
HMDB0010316 Acetaminophen glucuronide HMDB0010316 83944 32636 NA CC(=O)NC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
HMDB0032830 (-)-Matairesinol 4'-[apiosyl-(1->2)-glucoside] HMDB0032830 NA NA NA COC1=C(O)C=CC(CC2C(CC3=CC(OC)=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)C=C3)COC2=O)=C1 Lignans, neolignans and related compounds Lignan glycosides null NA
HMDB0011174 Isoleucylproline HMDB0011174 342734 NA NA CCC(C)C(C(=O)N1CCCC1C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0028717 Arginyl-Proline HMDB0028717 NA NA NA NC(CCCNC(N)=N)C(=O)N1CCCC1C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0011741 gamma-Glutamyltyrosine HMDB0011741 94340 82969 NA C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C04437 Imidazoleacetic acid ribotide HMDB0006032 16019958 16805 C04437 NA C1=C(N=CN1C2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CC(=O)O null null null map00340 Histidine metabolism
C01822 Kanamycin HMDB0015303 6032 17630 C01822 NA C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00524 Neomycin, kanamycin and gentamicin biosynthesis; map01130 Biosynthesis of antibiotics
HMDB0030694 (S)-5,7-Dihydroxy-6,8-dimethylflavanone HMDB0030694 625031 NA NA CC1=C(C2=C(C(=C1O)C)OC(CC2=O)C3=CC=CC=C3)O Phenylpropanoids and polyketides Flavonoids Flavans NA
HMDB0034159 Acetyl tributyl citrate HMDB0034159 6505 NA NA CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives NA
C04352 4-Phosphopantothenoylcysteine HMDB0001117 440304 15769 C04352 NA CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)N[C@@H](CS)C(=O)O)O Organic acids and derivatives Peptidomimetics Hybrid peptides map00770 Pantothenate and CoA biosynthesis; map01100 Metabolic pathways
C11131 2-Methoxy-estradiol-17b 3-glucuronide HMDB0006765 443076 36491 C11131 NA C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides map00140 Steroid hormone biosynthesis
HMDB0033580 28-Glucosylarjunolate 3-[rhamnosyl-(1->3)-glucuronide] HMDB0033580 NA NA NA CC1OC(OC2C(O)C(OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(CCC54C)C(=O)OC4OC(CO)C(O)C(O)C4O)C3(C)CO)OC(C2O)C(O)=O)C(O)C(O)C1O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
C16752 Acevaltrate HMDB0034494 22245467 NA C16752 NA CC(C)CC(=O)OC1C2C(=CC(C23CO3)OC(=O)CC(C)(C)OC(=O)C)C(=CO1)COC(=O)C null null null NULL
C03404 Tyrosine methylester HMDB0029217 70652 17215 C03404 NA COC(=O)[C@H](CC1=CC=C(C=C1)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NULL
C00345 6-Phosphogluconic acid HMDB0001316 91493 48928 C00345 367 C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00030 Pentose phosphate pathway; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism
HMDB0012983 Kinetensin 1-3 HMDB0012983 53481564 NA NA CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@H](CCCN=C(N)N)C(=O)O)N null null null NA
C03683 De-O-methylsterigmatocystin HMDB0033657 5486185 18236 C03683 NA C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C4C(=C3O2)C5C=COC5O4)O null null null map00254 Aflatoxin biosynthesis; map01130 Biosynthesis of antibiotics
HMDB0033118 2-Methylthiophene HMDB0033118 11126 NA NA CC1=CC=CS1 Organoheterocyclic compounds Heteroaromatic compounds null NA
HMDB0032822 5-Sulfo-1,3-benzenedicarboxylic acid HMDB0032822 80714 NA NA C1=C(C=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)O Benzenoids Benzene and substituted derivatives Benzenesulfonic acids and derivatives NA
C00828 Vitamin K2 HMDB0030017 5283547 NA C00828 NA CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C null null null map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map02020 Two-component system; map04977 Vitamin digestion and absorption
HMDB0033216 (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside HMDB0033216 NA NA NA CC(C)(O)C(O)CCC(=C)C(CO)OC1OC(CO)C(O)C(O)C1O Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides NA
C00959 Prostaglandin B1 HMDB0002982 5280388 27624 C00959 408 CCCCC[C@@H](/C=C/C1=C(C(=O)CC1)CCCCCCC(=O)O)O Lipids and lipid-like molecules Fatty Acyls Eicosanoids NULL
C00068 Thiamine pyrophosphate HMDB0001372 1132 9532 C00068 2832 CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives map00010 Glycolysis / Gluconeogenesis; map00020 Citrate cycle (TCA cycle); map00280 Valine, leucine and isoleucine degradation; map00620 Pyruvate metabolism; map00640 Propanoate metabolism; map00730 Thiamine metabolism; map01100 Metabolic pathways; map04977 Vitamin digestion and absorption
HMDB0029766 (3S,7E,9R)-4,7-Megastigmadiene-3,9-diol 9-[apiosyl-(1->6)-glucoside] HMDB0029766 NA NA NA CC(OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)\C=C\C1C(C)=CC(O)CC1(C)C Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides NA
C00106 Uracil HMDB0000300 1174 17568 C00106 258 C1=CNC(=O)NC1=O Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives map00240 Pyrimidine metabolism; map00410 beta-Alanine metabolism; map00770 Pantothenate and CoA biosynthesis; map01100 Metabolic pathways
HMDB0028896 Histidinyl-Tryptophan HMDB0028896 NA NA NA NC(CC1=CN=CN1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C00082 L-Tyrosine HMDB0000158 6057 17895 C00082 34 C1=CC(=CC=C1C[C@@H](C(=O)O)N)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map00231 Puromycin biosynthesis; map00261 Monobactam biosynthesis; map00350 Tyrosine metabolism; map00360 Phenylalanine metabolism; map00400 Phenylalanine, tyrosine and tryptophan biosynthesis; map00401 Novobiocin biosynthesis; map00460 Cyanoamino acid metabolism; map00680 Methane metabolism; map00730 Thiamine metabolism; map00940 Phenylpropanoid biosynthesis; map00950 Isoquinoline alkaloid biosynthesis; map00965 Betalain biosynthesis; map00966 Glucosinolate biosynthesis; map00970 Aminoacyl-tRNA biosynthesis; map01055 Biosynthesis of vancomycin group antibiotics; map01059 Biosynthesis of enediyne antibiotics; map01060 Biosynthesis of plant secondary metabolites; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map04728 Dopaminergic synapse; map04916 Melanogenesis; map04917 Prolactin signaling pathway; map04974 Protein digestion and absorption; map05012 Parkinson disease; map05030 Cocaine addiction; map05031 Amphetamine addiction; map05034 Alcoholism; map05230 Central carbon metabolism in cancer
HMDB0033578 Aquifoliunine EIII HMDB0033578 NA NA NA CC1C(C)C(=O)OC2C(OC(C)=O)C(OC(C)=O)C3(COC(C)=O)C(OC(C)=O)C(O)C4C(OC(C)=O)C3(OC4(C)COC(=O)C3=C1N=CC=C3)C2(C)O Alkaloids and derivatives null null NA
C05853 2-Phenylethanol HMDB0033944 6054 49000 C05853 NA C1=CC=C(C=C1)CCO Benzenoids Benzene and substituted derivatives null map00360 Phenylalanine metabolism
C00590 Coniferyl alcohol HMDB0012915 1549095 17745 C00590 NA COC1=C(C=CC(=C1)/C=C/CO)O Benzenoids Phenols Methoxyphenols map00940 Phenylpropanoid biosynthesis; map00999 Biosynthesis of secondary metabolites - unclassified; map01061 Biosynthesis of phenylpropanoids; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
C01407 Benzene HMDB0001505 241 16716 C01407 6285 C1=CC=CC=C1 Benzenoids Benzene and substituted derivatives null map00361 Chlorocyclohexane and chlorobenzene degradation; map00362 Benzoate degradation; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds
C01455 Toluene HMDB0034168 1140 17578 C01455 NA CC1=CC=CC=C1 Benzenoids Benzene and substituted derivatives Toluenes map00623 Toluene degradation; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds
HMDB0006695 Prolylhydroxyproline HMDB0006695 11902892 74767 NA C1C[C@H]([NH2+]C1)C(=O)N2C[C@@H](C[C@H]2C(=O)[O-])O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0032959 1-Octen-3-yl glucoside HMDB0032959 NA NA NA CCCCCC(OC1OC(CO)C(O)C(O)C1O)C=C Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides NA
C07809 Flavoxate HMDB0015279 3354 5088 C07809 NA CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4 Phenylpropanoids and polyketides Flavonoids Flavones NULL
HMDB0015238 Levocabastine HMDB0015238 54385 654467 NA C[C@@H]1CN(CC[C@@]1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=C(C=C4)F Organoheterocyclic compounds Piperidines Phenylpiperidines NA
HMDB0029855 Cochineal Red A HMDB0029855 NA NA NA OC1=C(\N=N\C2=CC=C(C3=CC=CC=C23)S(O)(=O)=O)C2=C(C=C(C=C2C=C1)S(O)(=O)=O)S(O)(=O)=O Benzenoids Naphthalenes 1,1'-azonaphthalenes NA
C00842 dTDP-D-glucose HMDB0001328 439324 35248 C00842 6163 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O null null null map00521 Streptomycin biosynthesis; map00523 Polyketide sugar unit biosynthesis; map00525 Acarbose and validamycin biosynthesis; map01055 Biosynthesis of vancomycin group antibiotics; map01130 Biosynthesis of antibiotics
HMDB0007607 DG(22:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) HMDB0007607 53478378 NA NA CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
C11118 2-Pyrrolidinone HMDB0002039 12025 36592 C11118 6452 C1CC(=O)NC1 null null null NULL
HMDB0033409 26-Methyl nigranoate HMDB0033409 NA NA NA COC(=O)C(\C)=C/CCC(C)C1CCC2(C)C3CCC(C(C)=C)C4(CCC(O)=O)CC34CCC12C Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
HMDB0031281 erythro-7,9-Tetratriacontanediol HMDB0031281 NA NA NA CCCCCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCCC Lipids and lipid-like molecules Fatty Acyls Fatty alcohols NA
HMDB0014433 Amcinonide HMDB0014433 443958 31199 NA CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)F)O)C)OC6(O2)CCCC6 Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids NA
HMDB0011156 PA(20:4(5Z,8Z,11Z,14Z)e/2:0) HMDB0011156 53480670 NA NA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC[C@H](COP(=O)(O)O)OC(=O)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates NA
C00448 Farnesyl pyrophosphate HMDB0000961 445713 17407 C00448 403 CC(=CCC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)C Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids map00100 Steroid biosynthesis; map00900 Terpenoid backbone biosynthesis; map00906 Carotenoid biosynthesis; map00909 Sesquiterpenoid and triterpenoid biosynthesis; map00981 Insect hormone biosynthesis; map00999 Biosynthesis of secondary metabolites - unclassified; map01060 Biosynthesis of plant secondary metabolites; map01062 Biosynthesis of terpenoids and steroids; map01066 Biosynthesis of alkaloids derived from terpenoid and polyketide; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics
HMDB0010406 LysoPC(24:1(15Z)) HMDB0010406 53480477 NA C04230 NA CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
C00292 Aniline HMDB0003012 6115 17296 C00292 489 C1=CC=C(C=C1)N Benzenoids Benzene and substituted derivatives Aniline and substituted anilines map00627 Aminobenzoate degradation; map01120 Microbial metabolism in diverse environments
C02728 N(6)-Methyllysine HMDB0002038 164795 17604 C02728 NA CNCCCC[C@@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NULL
C06867 Captopril HMDB0015328 44093 3380 C06867 NA C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NULL
HMDB0031874 N-gamma-Glutamyl-S-allylcysteine HMDB0031874 11193907 NA NA C=CCSCC(C(=O)O)NC(=O)CCC(C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C00089 Sucrose HMDB0000258 5988 17992 C00089 137 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00052 Galactose metabolism; map00500 Starch and sucrose metabolism; map01100 Metabolic pathways; map02010 ABC transporters; map02060 Phosphotransferase system (PTS); map04742 Taste transduction; map04973 Carbohydrate digestion and absorption
HMDB0001513 Dolichyl diphosphate HMDB0001513 5462166 15750 C00621 6290 CC/C(=C/CCCC(C)CCOP(=O)(O)OP(=O)(O)O)/C Organic oxygen compounds Organic oxoanionic compounds Organic pyrophosphates NA
C06979 Enoxacin HMDB0014610 3229 157175 C06979 NA CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O Organoheterocyclic compounds Diazanaphthalenes Naphthyridines NULL
HMDB0005041 Donepezil HMDB0005041 3152 53289 NA COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC Organoheterocyclic compounds Piperidines Benzylpiperidines NA
C00015 Uridine 5'-diphosphate HMDB0000295 6031 17659 C00015 NA C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine ribonucleotides map00240 Pyrimidine metabolism; map00908 Zeatin biosynthesis; map01100 Metabolic pathways; map04080 Neuroactive ligand-receptor interaction
HMDB0033242 Glycylserylprolylmethionylphenylalanylvalinamide HMDB0033242 NA NA NA CSCCC(NC(=O)C1CCCN1C(=O)C(CO)NC(=O)CN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(N)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0000726 Isovalerylglutamic acid HMDB0000726 133383 NA 5694 CC(C)CC(=O)N[C@@H](CCC(=O)O)C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C05504 Estriol-16-Glucuronide HMDB0006766 122281 NA C05504 NA C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides map00140 Steroid hormone biosynthesis
C05923 2,5-Diaminopyrimidine nucleoside triphosphate HMDB0006821 440841 929 C05923 NA C([C@@H]1[C@H]([C@H]([C@@H](O1)NC2=C(C(=O)N=C(N2)N)N)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00790 Folate biosynthesis; map01100 Metabolic pathways
HMDB0033553 3-[(3-Methylbutyl)nitrosoamino]-2-butanone HMDB0033553 51227 NA NA CC(C)CCN(C(C)C(=O)C)N=O Organooxygen compounds Carbonyl compounds Ketones NA
HMDB0033470 Caffeoylferuloylspermidine HMDB0033470 NA NA NA COC1=C(O)C=CC(\C=C\C(=O)NCCCCNCCCNC(=O)\C=C\C2=CC(O)=C(O)C=C2)=C1 null null null NA
C00556 Benzyl alcohol HMDB0003119 244 17987 C00556 NA C1=CC=C(C=C1)CO null null null map00623 Toluene degradation; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds
C00601 Phenylacetaldehyde HMDB0006236 998 16424 C00601 NA C1=CC=C(C=C1)CC=O Benzenoids Benzene and substituted derivatives Phenylacetaldehydes map00360 Phenylalanine metabolism; map00643 Styrene degradation; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments
C00233 Ketoleucine HMDB0000695 70 48430 C00233 5663 CC(C)CC(=O)C(=O)O Organic acids and derivatives Keto acids and derivatives Short-chain keto acids and derivatives map00280 Valine, leucine and isoleucine degradation; map00290 Valine, leucine and isoleucine biosynthesis; map00966 Glucosinolate biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids
C07406 Propoxyphene HMDB0014785 25137868 8497 C07406 NA CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C null null null NULL
C02105 (S)-Reticuline HMDB0003601 439653 16718 C02105 6967 CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)O)O)OC Organoheterocyclic compounds Isoquinolines and derivatives Benzylisoquinolines map00950 Isoquinoline alkaloid biosynthesis; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
HMDB0031758 Allithiamine HMDB0031758 NA NA NA C\C(N(CC1=C(N)N=C(C)N=C1)C=O)=C(\CCO)SSCC=C Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives NA
HMDB0033494 Tetronasin HMDB0033494 NA NA NA COC(C)C1CC(C)C(O1)C(C)\C=C/C1CCC(C)C(O1)C(\CO)=C\C1CCCC(C)C1C(C)C(\[O-])=C1/C(=O)COC1=O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
HMDB0005369 TG(16:0/18:0/18:2(9Z,12Z)) HMDB0005369 9544069 NA C00422 NA CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerolipids Triradylcglycerols NA
C00146 Phenol HMDB0000228 996 15882 C00146 128 C1=CC=C(C=C1)O null null null map00350 Tyrosine metabolism; map00361 Chlorocyclohexane and chlorobenzene degradation; map00362 Benzoate degradation; map00627 Aminobenzoate degradation; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds; map04974 Protein digestion and absorption
HMDB0029347 Acuminoside HMDB0029347 NA NA NA CC(C)=CCC\C(C)=C/COC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
HMDB0011489 LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z)) HMDB0011489 53480938 NA NA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0015629 Sitaxentan HMDB0015629 216235 123417 NA CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Cl)OCO2 Organoheterocyclic compounds Benzodioxoles null NA
HMDB0034516 3b,18b-3-Methoxy-11-oxo-12-oleanen-30-oic acid HMDB0034516 629042 NA NA CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)C Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
HMDB0033500 Lyciumoside VI HMDB0033500 NA NA NA CC1OC(OCC2OC(OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C=C)C(O)C(O)C2O)C(O)C(O)C1O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
HMDB0015662 Fosaprepitant HMDB0015662 219090 64321 NA C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)N(N3)P(=O)(O)O)C4=CC=C(C=C4)F Organoheterocyclic compounds Oxazinanes Morpholines NA
HMDB0006409 Tyramine-O-sulfate HMDB0006409 153005 133530 NA C1=CC(=CC=C1CCN)OS(=O)(=O)O Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates NA
HMDB0015239 Methyprylon HMDB0015239 4162 774741 NA CCC1(C(=O)C(CNC1=O)C)CC Organoheterocyclic compounds Piperidines Piperidinones NA
HMDB0013209 Alanyltryptophan HMDB0013209 53481655 NA C00806 NA C[C@@H](C(=O)N[C@@H](CC1=CC2=CC=CC=C2N1)C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0015262 Prednicarbate HMDB0015262 52421 NA NA CCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)OCC Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids NA
HMDB0035701 Cucurbitacin I 2-glucoside HMDB0035701 NA NA NA CC(C)(O)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
C00788 Epinephrine HMDB0000068 5816 28918 C00788 5127 CNC[C@@H](C1=CC(=C(C=C1)O)O)O Benzenoids Phenols Benzenediols map00350 Tyrosine metabolism; map01100 Metabolic pathways; map02020 Two-component system; map02024 Quorum sensing; map04024 cAMP signaling pathway; map04080 Neuroactive ligand-receptor interaction; map04261 Adrenergic signaling in cardiomyocytes; map04923 Regulation of lipolysis in adipocytes; map04924 Renin secretion
HMDB0032788 Kaempferol 3-(2'''-feruloylsophoroside) 7-cellobioside HMDB0032788 NA NA NA COC1=C(O)C=CC(\C=C\C(=O)OC2C(OC3C(OC4=C(OC5=CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)OC(CO)C(O)C3O)OC(CO)C(O)C2O)=C1 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides NA
C00407 L-Isoleucine HMDB0000172 6306 17191 C00407 5193 CC[C@H](C)[C@@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00280 Valine, leucine and isoleucine degradation; map00290 Valine, leucine and isoleucine biosynthesis; map00460 Cyanoamino acid metabolism; map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map00966 Glucosinolate biosynthesis; map00970 Aminoacyl-tRNA biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map02010 ABC transporters; map04974 Protein digestion and absorption; map04978 Mineral absorption; map05230 Central carbon metabolism in cancer
HMDB0028695 Alanyl-Proline HMDB0028695 NA NA NA CC(N)C(=O)N1CCCC1C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0028822 Glutamylisoleucine HMDB0028822 9813855 NA NA CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C01051 Uroporphyrinogen III HMDB0001086 1179 15437 C01051 79 C1C2=C(C(=C(N2)CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C1N5)CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O Organoheterocyclic compounds Tetrapyrroles and derivatives Porphyrins map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments
HMDB0000024 3-O-Sulfogalactosylceramide (d18:1/24:0) HMDB0000024 6451121 60361 C06125 5096 CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
C05258 (S)-3-Hydroxyhexadecanoyl-CoA HMDB0003932 440600 27402 C05258 NA CCCCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)O null null null map00062 Fatty acid elongation; map00071 Fatty acid degradation; map01100 Metabolic pathways; map01212 Fatty acid metabolism
C08280 Hypoglycin B HMDB0029428 108105 NA C08280 NA C=C1CC1CC(C(=O)O)NC(=O)CCC(C(=O)O)N null null null NULL
HMDB0010621 PG(18:1(11Z)/18:3(6Z,9Z,12Z)) HMDB0010621 53480620 NA NA CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols NA
HMDB0005380 TG(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) HMDB0005380 9544150 NA C00422 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerolipids Triradylcglycerols NA
C06387 4-Chlorobenzoyl-CoA METPA0811 NA NA C06387 NA NA null null null map00364 Fluorobenzoate degradation; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments
C01516 Morphine HMDB0014440 5288826 17303 C01516 NA CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O Alkaloids and derivatives Morphinans null map00950 Isoquinoline alkaloid biosynthesis; map00982 Drug metabolism - cytochrome P450; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04080 Neuroactive ligand-receptor interaction
C07346 Oxandrolone HMDB0014759 5878 7820 C07346 NA C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(COC(=O)C4)C Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones NULL
HMDB0012337 PS(14:0/18:3(9Z,12Z,15Z)) HMDB0012337 52926033 NA NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
HMDB0005376 TG(16:0/16:1(9Z)/16:1(9Z)) HMDB0005376 9543987 NA C00422 4717 CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerolipids Triradylcglycerols NA
HMDB0005362 TG(16:0/16:0/18:2(9Z,12Z)) HMDB0005362 25240356 NA C00422 4743 CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCC Lipids and lipid-like molecules Glycerolipids Triradylcglycerols NA
HMDB0013473 PGP(16:0/16:1(9Z)) HMDB0013473 53481795 NA NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerophosphates NA
HMDB0031027 Tuberoside B (Ullucus tuberosus) HMDB0031027 NA NA NA CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OCC(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
C00526 Deoxyuridine HMDB0000012 13712 16450 C00526 5086 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine 2'-deoxyribonucleosides map00240 Pyrimidine metabolism
HMDB0034242 alpha-Hydrojuglone 4-O-b-D-glucoside HMDB0034242 NA NA NA OCC1OC(OC2=C3C(O)=CC=CC3=C(O)C=C2)C(O)C(O)C1O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
HMDB0010704 CerP(d18:1/24:0) HMDB0010704 5283587 73137 NA CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids NA
HMDB0007790 DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/0:0) HMDB0007790 53478540 NA NA CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
C05307 Chlorophyll b HMDB0031146 NA NA C05307 NA [Mg++].[H]\C(COC(=O)CCC1C(C)C2=N\C1=C1/C(C(=O)OC)C(=O)C3=C(C)C(=CC4=C(CC)C(=CO)C(C=C5[N-]C(=C2)C(C)=C5C=C)=N4)N=C13)=C(\C)CCCC(C)CCCC(C)CCCC(C)C null null null map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
C07663 Moxifloxacin HMDB0014363 152946 63611 C07663 NA COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O null null null map02010 ABC transporters
HMDB0010330 Cholesterol glucuronide HMDB0010330 53480449 NA C03033 NA C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
C12450 Pseudoecgonyl-CoA HMDB0006403 443846 NA C12450 NA CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)[C@@H]4[C@H](CC5CCC4N5C)O)O null null null map00960 Tropane, piperidine and pyridine alkaloid biosynthesis
C10172 Proline betaine HMDB0004827 115244 35280 C10172 7089 C[N+]1(CCC[C@H]1C(=O)[O-])C Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NULL
C01575 Ephedrine HMDB0015451 9294 15407 C01575 NA C[C@@H]([C@@H](C1=CC=CC=C1)O)NC Benzenoids Benzene and substituted derivatives Phenylpropanes map00360 Phenylalanine metabolism; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01100 Metabolic pathways
C00473 Vitamin A HMDB0000305 445354 17336 C00473 NA CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C null null null map00830 Retinol metabolism; map01100 Metabolic pathways; map04977 Vitamin digestion and absorption
HMDB0012342 PS(14:1(9Z)/14:1(9Z)) HMDB0012342 52926026 NA NA CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
HMDB0034699 Fumonisin A2 HMDB0034699 14077782 NA NA CCCCC(C)C(C(CC(C)CCCCCCC(CC(C(C)NC(=O)C)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Fumonisins NA
HMDB0005400 TG(18:0/20:0/20:1(11Z)) HMDB0005400 9544617 NA C00422 NA CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerolipids Triradylcglycerols NA
C05337 Chenodeoxycholoyl-CoA HMDB0006292 11966205 28701 C05337 NA C[C@H](CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)C null null null map00120 Primary bile acid biosynthesis; map00121 Secondary bile acid biosynthesis; map01100 Metabolic pathways
HMDB0001454 Guanosine tetraphosphate adenosine HMDB0001454 10771862 52968 NA C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC(=NC6=O)N)O)O)O)O Nucleosides, nucleotides, and analogues (5'->5')-dinucleotides null NA
HMDB0009773 PE(24:1(15Z)/24:1(15Z)) HMDB0009773 53480045 NA C00350 NA CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0006589 Sialyllacto-N-tetraose a HMDB0006589 53477859 89919 NA CC(=O)N[C@@H]1[C@H](C[C@@](OC1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)OC3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)OC4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)NC(=O)C)CO)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
HMDB0014941 Colistin HMDB0014941 5311054 NA C13768 NA CCC(C)CCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)[C@@H](C)O Organic Polymers Polypeptides null NA
HMDB0004881 Trihexosylceramide (d18:1/20:0) HMDB0004881 20057316 NA C04737 7138 CCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)C(/C=C/CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
C00463 Indole HMDB0000738 798 16881 C00463 286 C1=CC=C2C(=C1)C=CN2 Organoheterocyclic compounds Indoles and derivatives Indoles map00380 Tryptophan metabolism; map00400 Phenylalanine, tyrosine and tryptophan biosynthesis; map00402 Benzoxazinoid biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04974 Protein digestion and absorption
C00955 Tryptophanol HMDB0003447 10685 17890 C00955 6932 C1=CC=C2C(=C1)C(=CN2)CCO Organoheterocyclic compounds Indoles and derivatives Indoles map00380 Tryptophan metabolism
HMDB0033926 (3xi,6xi)-Cyclo(alanylvalyl) HMDB0033926 139895 NA NA CC1C(=O)NC(C(=O)N1)C(C)C Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C04079 D-Pantothenoyl-L-cysteine HMDB0006834 440217 18416 C04079 NA CC(C)(CO)[C@H](C(=O)NCCC(=O)N[C@@H](CS)C(=O)O)O Organic acids and derivatives Peptidomimetics Hybrid peptides map00770 Pantothenate and CoA biosynthesis
HMDB0033907 Homodolicholide HMDB0033907 NA NA NA C\C=C(/C(C)C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones NA
C00193 Benzaldehyde HMDB0006115 240 17169 C00193 NA C1=CC=C(C=C1)C=O null null null NULL
C09817 (R)-Benzylsuccinyl-CoA HMDB0012129 53481379 NA C09817 NA CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C[C@@H](CC4=CC=CC=C4)C(=O)O)O null null null map00623 Toluene degradation; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds
HMDB0013033 Oxytocin 1-8 HMDB0013033 53481590 NA NA CC[C@@H](C)[C@H]1C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](CSSC(C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@@H]3C(=O)N[C@H](CC(C)C)C(=O)O)CC(=O)N)CCC(=O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C05843 N1-Methyl-4-pyridone-3-carboxamide HMDB0004194 440810 27838 C05843 NA CN1C=CC(=O)C(=C1)C(=O)N Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives map00760 Nicotinate and nicotinamide metabolism; map01100 Metabolic pathways
C04225 cis-2-Methylaconitate HMDB0006357 3080625 16717 C04225 NA C/C(=C(\CC(=O)O)/C(=O)O)/C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives map00640 Propanoate metabolism
C03406 Argininosuccinic acid HMDB0000052 16950 15682 C03406 5115 C(C[C@@H](C(=O)O)N)CN=C(N)N[C@@H](CC(=O)O)C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00220 Arginine biosynthesis; map00250 Alanine, aspartate and glutamate metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01230 Biosynthesis of amino acids
C06913 Clemastine HMDB0014428 26987 3738 C06913 NA C[C@@](C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCC[C@H]3CCCN3C Benzenoids Benzene and substituted derivatives Diphenylmethanes NULL
C05259 3-Oxohexadecanoyl-CoA HMDB0006402 440601 15491 C05259 NA CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O null null null map00062 Fatty acid elongation; map00071 Fatty acid degradation; map01100 Metabolic pathways; map01212 Fatty acid metabolism
HMDB0031990 Pitheduloside K HMDB0031990 NA NA NA CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
HMDB0033599 Vignatic acid A HMDB0033599 NA NA NA CC(C)CC(O)C(=O)NC1C(OC2=CC=C(CC(NC(=O)C(CC3=CC=CC=C3)NC1=O)C(O)=O)C=C2)C(C)C Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C01585 Caproic acid HMDB0000535 8892 30776 C01585 5520 CCCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates NULL
HMDB0028825 Glutamylmethionine HMDB0028825 6426949 73507 NA CSCC[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C01850 Rosmarinic acid HMDB0003572 5281792 50371 C01850 6960 C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives map00350 Tyrosine metabolism
C00832 Paromomycin HMDB0015490 165580 7934 C00832 NA C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00524 Neomycin, kanamycin and gentamicin biosynthesis; map01130 Biosynthesis of antibiotics
HMDB0006978 CDP-DG(18:0/18:0) HMDB0006978 53477922 NA NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCCCCCCCCCCC Lipids and lipid-like molecules Glycerophospholipids CDP-glycerols NA
C08887 Avenacoside A HMDB0033815 267363 NA C08887 NA CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)OC19CCC(O9)(C)COC1C(C(C(C(O1)CO)O)O)O null null null NULL
C00079 L-Phenylalanine HMDB0000159 6140 17295 C00079 28 C1=CC=C(C=C1)C[C@@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00360 Phenylalanine metabolism; map00400 Phenylalanine, tyrosine and tryptophan biosynthesis; map00460 Cyanoamino acid metabolism; map00940 Phenylpropanoid biosynthesis; map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map00966 Glucosinolate biosynthesis; map00970 Aminoacyl-tRNA biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01061 Biosynthesis of phenylpropanoids; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map02010 ABC transporters; map04974 Protein digestion and absorption; map04978 Mineral absorption; map05230 Central carbon metabolism in cancer
C07194 Methyldopa HMDB0011754 38853 61058 C07194 NA C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)N Phenylpropanoids and polyketides Phenylpropanoic acids null NULL
HMDB0000706 Aspartylphenylalanine HMDB0000706 93078 385866 5674 C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C11045 Aspartame HMDB0001894 134601 2877 C11045 6377 COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map04742 Taste transduction
HMDB0011477 LysoPE(0:0/18:2(9Z,12Z)) HMDB0011477 53480926 76090 NA CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0007894 PC(14:0/24:1(15Z)) HMDB0007894 24778643 NA C00157 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC null null null NA
C00441 L-Aspartate-semialdehyde HMDB0012249 439235 18051 C00441 NA C(C=O)[C@@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00260 Glycine, serine and threonine metabolism; map00261 Monobactam biosynthesis; map00270 Cysteine and methionine metabolism; map00300 Lysine biosynthesis; map00330 Arginine and proline metabolism; map00400 Phenylalanine, tyrosine and tryptophan biosynthesis; map00999 Biosynthesis of secondary metabolites - unclassified; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids
C07172 Trimeprazine HMDB0015376 5574 157833 C07172 NA CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C Organoheterocyclic compounds Benzothiazines Phenothiazines NULL
HMDB0013043 Prostaglandin PGE2 1-glyceryl ester HMDB0013043 52193688 NA NA CCCCC[C@@H](/C=C/[C@H]1[C@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)OC[C@@H](CO)O)O)O Lipids and lipid-like molecules Fatty Acyls Eicosanoids NA
HMDB0011472 LysoPE(0:0/15:0) HMDB0011472 53480921 NA NA CCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0031748 Chinenoside I HMDB0031748 NA NA NA CC(CCC1(O)OC2CC3C4CC(=O)C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(COC2OCC(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
HMDB0032021 cis-Methylbixin HMDB0032021 NA NA NA COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)OC Lipids and lipid-like molecules Prenol lipids Diterpenoids NA
HMDB0029767 Saringosterol 3-glucoside HMDB0029767 NA NA NA CC(C)C(O)(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C=C Lipids and lipid-like molecules Steroids and steroid derivatives Stigmastanes and derivatives NA
C16308 Traumatic acid HMDB0000933 5283028 545687 C16308 5882 C(CCCCC(=O)O)CCC/C=C/C(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates map00592 alpha-Linolenic acid metabolism; map01110 Biosynthesis of secondary metabolites
HMDB0014571 Triprolidine HMDB0014571 5282443 165539 NA CC1=CC=C(C=C1)/C(=C\CN2CCCC2)/C3=CC=CC=N3 Benzenoids Benzene and substituted derivatives Styrenes NA
C07130 Theophylline HMDB0001889 2153 28177 C07130 1458 CN1C2=C(C(=O)N(C1=O)C)NC=N2 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives map00232 Caffeine metabolism; map01060 Biosynthesis of plant secondary metabolites; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments
HMDB0002012 Ubiquinone-1 HMDB0002012 4462 16389 C00399 6435 CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids NA
HMDB0007029 DG(14:0/22:1(13Z)/0:0) HMDB0007029 53477964 NA NA CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0034552 Medicagenic acid 3-O-beta-D-glucoside HMDB0034552 NA NA NA CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
HMDB0008156 PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0008156 24778983 NA C00157 NA CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
C00234 10-Formyltetrahydrofolate HMDB0000972 122347 15637 C00234 5912 C1C(NC2=C(N1)NC(=NC2=O)N)CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O null null null map00670 One carbon pool by folate; map00720 Carbon fixation pathways in prokaryotes; map00970 Aminoacyl-tRNA biosynthesis; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01200 Carbon metabolism; map01523 Antifolate resistance
C07829 Methylphenobarbital HMDB0014987 8271 6758 C07829 NA CCC1(C(=O)NC(=O)N(C1=O)C)C2=CC=CC=C2 Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives NULL
HMDB0010361 (23S)-23,25-dihdroxy-24-oxovitamine D3 23-(beta-glucuronide) HMDB0010361 9547634 NA NA C[C@H](C[C@@H](C(=O)C(C)(C)O)OC1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](CCC4=C)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Vitamin D and derivatives NA
C11435 4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol METPA1028 NA NA C11435 NA NA null null null map00900 Terpenoid backbone biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics
C07078 Lomefloxacin HMDB0015113 3948 116278 C07078 NA CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F)C(=O)O Organoheterocyclic compounds Quinolines and derivatives Quinoline carboxylic acids NULL
C11133 Estrone glucuronide HMDB0004483 115255 28919 C11133 7063 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides map00140 Steroid hormone biosynthesis
C03582 Resveratrol HMDB0003747 445154 36000 C03582 NA C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O Phenylpropanoids and polyketides Stilbenes null map00945 Stilbenoid, diarylheptanoid and gingerol biosynthesis; map01061 Biosynthesis of phenylpropanoids; map01110 Biosynthesis of secondary metabolites; map04211 Longevity regulating pathway; map04212 Longevity regulating pathway - worm
HMDB0028736 Asparaginyl-Lysine HMDB0028736 NA NA NA NCCCCC(NC(=O)C(N)CC(N)=O)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C06171 Codeinone METPA0776 NA NA C06171 NA NA null null null map00950 Isoquinoline alkaloid biosynthesis; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
HMDB0010331 Palmitoyl glucuronide HMDB0010331 161223 NA C03033 NA CCCCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides NA
HMDB0012986 Kinetensin 4-7 HMDB0012986 53481567 NA NA C1C[C@@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H](CCCN=C(N)N)N)C(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C00913 3-Methyladenine HMDB0011600 1673 38635 C00913 NA CN1C=NC(=C2C1=NC=N2)N Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives NULL
C01620 Threonic acid HMDB0000943 151152 49059 C01620 5891 C([C@H]([C@@H](C(=O)O)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00053 Ascorbate and aldarate metabolism
C02631 Isopropylmaleate HMDB0012241 5280533 17275 C02631 NA CC(C)/C(=C/C(=O)O)/C(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates map00290 Valine, leucine and isoleucine biosynthesis; map01110 Biosynthesis of secondary metabolites; map01210 2-Oxocarboxylic acid metabolism
C07356 Oxaprozin HMDB0015126 4614 239225 C07356 NA C1=CC=C(C=C1)C2=C(OC(=N2)CCC(=O)O)C3=CC=CC=C3 Organoheterocyclic compounds Azoles Oxazoles NULL
HMDB0013938 Promazine 5-sulfoxide HMDB0013938 547559 NA NA CN(C)CCCN1C2=CC=CC=C2S(=O)C3=CC=CC=C31 Organoheterocyclic compounds Benzothiazines Phenothiazines NA
HMDB0029429 Malformin HMDB0029429 4005 NA NA CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C(C)C)NC2=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C10497 Subaphylline HMDB0033463 NA NA C10497 NA COC1=C(O)C=CC(\C=C/C(=O)NCCCCN)=C1 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives map00330 Arginine and proline metabolism
C05463 Taurodeoxycholic acid HMDB0000896 2733768 9410 C05463 5853 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C null null null NULL
HMDB0029513 Myricatin HMDB0029513 NA NA NA OC1=CC(O)=C2C(=O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C(OS(O)(=O)=O)=C1 Phenylpropanoids and polyketides Flavonoids Flavans NA
HMDB0012331 PS(14:0/14:1(9Z)) HMDB0012331 52925204 NA NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\CCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
HMDB0031105 Trierucin HMDB0031105 NA NA NA CCCCCCCC\C=C\CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C\CCCCCCCC Lipids and lipid-like molecules Glycerolipids Triradylcglycerols NA
HMDB0030113 Kuwanon Q HMDB0030113 NA NA NA CC(C)=CCC1=C(O)C=CC(C(=O)C2C(CC(C)=CC2C2=C(O)C=CC(C(=O)\C=C\C3=C(O)C=C(O)C=C3)=C2O)C2=CC=C(O)C=C2)=C1O Phenylpropanoids and polyketides Diarylheptanoids Linear diarylheptanoids NA
C16547 Endoxifen HMDB0060666 NA 1 C16547 NA CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCNC)C=C1)C1=CC=CC=C1 Phenylpropanoids and polyketides Stilbenes null map00982 Drug metabolism - cytochrome P450; map01522 Endocrine resistance
C00025 L-Glutamic acid HMDB0000148 33032 16015 C00025 5174 C(CC(=O)O)[C@@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00220 Arginine biosynthesis; map00250 Alanine, aspartate and glutamate metabolism; map00330 Arginine and proline metabolism; map00332 Carbapenem biosynthesis; map00340 Histidine metabolism; map00430 Taurine and hypotaurine metabolism; map00471 D-Glutamine and D-glutamate metabolism; map00480 Glutathione metabolism; map00524 Neomycin, kanamycin and gentamicin biosynthesis; map00630 Glyoxylate and dicarboxylate metabolism; map00650 Butanoate metabolism; map00660 C5-Branched dibasic acid metabolism; map00860 Porphyrin and chlorophyll metabolism; map00910 Nitrogen metabolism; map00970 Aminoacyl-tRNA biosynthesis; map00999 Biosynthesis of secondary metabolites - unclassified; map01060 Biosynthesis of plant secondary metabolites; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map02010 ABC transporters; map02020 Two-component system; map04068 FoxO signaling pathway; map04072 Phospholipase D signaling pathway; map04080 Neuroactive ligand-receptor interaction; map04216 Ferroptosis; map04540 Gap junction; map04713 Circadian entrainment; map04720 Long-term potentiation; map04721 Synaptic vesicle cycle; map04723 Retrograde endocannabinoid signaling; map04724 Glutamatergic synapse; map04727 GABAergic synapse; map04730 Long-term depression; map04742 Taste transduction; map04964 Proximal tubule bicarbonate reclamation; map04974 Protein digestion and absorption; map05014 Amyotrophic lateral sclerosis (ALS); map05016 Huntington disease; map05030 Cocaine addiction; map05031 Amphetamine addiction; map05033 Nicotine addiction; map05034 Alcoholism; map05230 Central carbon metabolism in cancer
C04518 17-alpha,20-alpha-Dihydroxypregn-4-en-3-one HMDB0011653 440368 16418 C04518 NA C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)O Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids map00140 Steroid hormone biosynthesis
C05951 Leukotriene D4 HMDB0003080 6435286 1044940 C05951 3583 CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)N Lipids and lipid-like molecules Fatty Acyls Eicosanoids map00590 Arachidonic acid metabolism; map01100 Metabolic pathways; map04080 Neuroactive ligand-receptor interaction; map04664 Fc epsilon RI signaling pathway; map05310 Asthma
HMDB0035518 1-[1,4-Dihydro-4-nonyl-5-(1-oxodecyl)-3-pyridinyl]-1-dodecanone HMDB0035518 NA NA NA CCCCCCCCCCCC(=O)C1=CNC=C(C1CCCCCCCCC)C(=O)CCCCCCCCC Organoheterocyclic compounds Pyridines and derivatives Hydropyridines NA
HMDB0000789 Pentacarboxylporphyrin I HMDB0000789 NA NA 5755 CC1=C(CCC(O)=O)/C2=C/C3=C(CCC(O)=O)C(CC(O)=O)=C(N3)\C=C3/N=C(/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)C(C)=C3CCC(O)=O Organoheterocyclic compounds Tetrapyrroles and derivatives Porphyrins NA
C08073 Natamycin HMDB0014964 5281099 NA C08073 NA C[C@@H]1C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@@H]3[C@H](O3)/C=C/C(=O)O1)O)O)O)C(=O)O)OC4[C@H]([C@H]([C@@H]([C@H](O4)C)O)N)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map01052 Type I polyketide structures
HMDB0010039 PIP2(16:0/20:1(11Z)) HMDB0010039 53480230 NA C00626 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCC/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositol phosphates NA
HMDB0029335 Mucronine D HMDB0029335 16058117 NA C10009 NA CCC(C)C1C(=O)N/C=C\C2=C(C=CC(=C2)OC3CCN(C3C(=O)N1)C(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)N(C)C)OC Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0031673 Armillarilin HMDB0031673 21126389 NA NA CC1=CC(=CC(=C1C(=O)OC2CC3(C2(C(=CC4(C3CC(C4)(C)C)O)C=O)O)C)O)OC Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids NA
HMDB0035433 Canarigenin 3-[glucosyl-(1->4)-6-deoxy-alloside] HMDB0035433 NA NA NA CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC3=C2)C2=CC(=O)OC2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
C03248 Acetylenedicarboxylate METPA0378 NA NA C03248 NA NA null null null map00620 Pyruvate metabolism
C04604 3-Hydroxy-2-methylpyridine-4,5-dicarboxylate HMDB0006955 440403 17978 C04604 NA CC1=NC=C(C(=C1O)C(=O)O)C(=O)O Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives map00750 Vitamin B6 metabolism; map01120 Microbial metabolism in diverse environments
C07572 Citalopram HMDB0005038 2771 3723 C07572 1781 CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F Benzenoids Benzene and substituted derivatives Phenylbutylamines map00982 Drug metabolism - cytochrome P450
HMDB0030407 Merodesmosine HMDB0030407 NA NA NA NC(CCCCNC\C(CCC(N)C(O)=O)=C\CCCC(N)C(O)=O)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0030655 Calabaxanthone HMDB0030655 341188 NA NA CC(=CCC1=C(C=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)OC)C Organoheterocyclic compounds Benzopyrans 1-benzopyrans NA
C01152 1-Methylhistidine HMDB0000001 92105 50599 C01152 3741 CN1C=C(N=C1)C[C@@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00340 Histidine metabolism
C07481 Caffeine HMDB0001847 2519 27732 C07481 1455 CN1C=NC2=C1C(=O)N(C(=O)N2C)C Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives map00232 Caffeine metabolism; map01060 Biosynthesis of plant secondary metabolites; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments
HMDB0028916 Isoleucyl-Serine HMDB0028916 NA NA NA CCC(C)C(N)C(=O)NC(CO)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C00328 L-Kynurenine HMDB0000684 161166 16946 C00328 72 C1=CC=C(C(=C1)C(=O)C[C@@H](C(=O)O)N)N Organic oxygen compounds Organooxygen compounds Carbonyl compounds map00380 Tryptophan metabolism; map01100 Metabolic pathways; map05143 African trypanosomiasis
HMDB0034579 8-O-Methyloblongine HMDB0034579 NA NA NA COC1=C(OC)C2=C(CC[N+](C)(C)C2CC2=CC=C(O)C=C2)C=C1 Organoheterocyclic compounds Isoquinolines and derivatives Benzylisoquinolines NA
HMDB0035867 11,13-Dihydrotaraxinic acid glucosyl ester HMDB0035867 NA NA NA CC1[C@@H]2CCC(=CCC\C(C)=C\[C@H]2OC1=O)C(=O)O[C@@H]1[C@@H](O)[C@H](O)O[C@H](CO)[C@H]1O Lipids and lipid-like molecules Saccharolipids null NA
HMDB0035697 Momordicoside E HMDB0035697 NA NA NA CC(C=O)C1CCC2(C)C3CC=C4C(CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4(C)C)C3(C)CCC12C Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
HMDB0013488 PGP(16:1(9Z)/16:1(9Z)) HMDB0013488 53481808 NA NA CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerophosphates NA
HMDB0029618 Macrophorin D HMDB0029618 NA NA NA CC(O)(CC(O)=O)CC(=O)OCC1=CC(=O)C2(CC3C(=C)CCC4C(C)(C)CCCC34C)OC2C1O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates NA
C04089 UDP-4-dehydro-6-deoxy-D-glucose HMDB0012300 440219 16553 C04089 NA C[C@@H]1C(=O)[C@@H]([C@H]([C@@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O null null null map00520 Amino sugar and nucleotide sugar metabolism
HMDB0034595 Aginoside progenin HMDB0034595 NA NA NA CC1C2C(CC3C4CC(O)C5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
C07256 Nefazodone HMDB0015280 4449 7494 C07256 NA CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl Organoheterocyclic compounds Diazinanes Piperazines NULL
C06917 Clomifene HMDB0015020 1548953 192984 C06917 NA CCN(CC)CCOC1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/Cl)/C3=CC=CC=C3 null null null NULL
HMDB0011478 LysoPE(0:0/18:3(6Z,9Z,12Z)) HMDB0011478 53480927 NA NA CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0008183 PC(18:3(6Z,9Z,12Z)/22:0) HMDB0008183 52922811 NA C00157 NA CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
C07220 Mexiletine HMDB0014523 4178 6916 C07220 NA CC1=C(C(=CC=C1)C)OCC(C)N Benzenoids Phenol ethers null NULL
HMDB0032346 (+/-)-Isobutyl 3-methylthiobutyrate HMDB0032346 54281757 NA NA CC(C)COC(=O)CC(C)SC Lipids and lipid-like molecules Fatty Acyls Fatty acid esters NA
C12786 Dinoprost Tromethamine HMDB0015291 5282415 774847 C12786 NA CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O.C(C(CO)(CO)N)O null null null NULL
C05575 L-Histidine trimethylbetaine HMDB0029422 3083620 15781 C05575 NA C[N+](C)(C)C(CC1=CN=CN1)C(=O)[O-] null null null map00340 Histidine metabolism
HMDB0007380 DG(20:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) HMDB0007380 53478198 NA NA CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
C00423 trans-Cinnamic acid HMDB0000930 444539 35697 C00423 5880 C1=CC=C(C=C1)/C=C/C(=O)O null null null map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map00360 Phenylalanine metabolism; map00940 Phenylpropanoid biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds
HMDB0000705 Hexanoylcarnitine HMDB0000705 6426853 70749 5673 CCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C Lipids and lipid-like molecules Fatty Acyls Fatty acid esters NA
C05322 7-O-Acetylsalutaridinol METPA0579 NA NA C05322 NA NA null null null map00950 Isoquinoline alkaloid biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
HMDB0010364 11-Hydroxyprogesterone 11-glucuronide HMDB0010364 42621273 NA NA CC(=O)[C@H]1CCC2[C@@]1(CC(C3C2CCC4=CC(=O)CC[C@]34C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
HMDB0015449 Iohexol HMDB0015449 3730 31709 NA CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I Benzenoids Benzene and substituted derivatives Anilides NA
C04112 3-Methyl-cis,cis-hexadienedioate METPA1857 NA NA C04112 NA NA null null null map00623 Toluene degradation; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds
HMDB0004979 Glucosylceramide (d18:1/25:0) HMDB0004979 20057360 NA C01190 7232 CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0029830 N-Caffeoyltryptophan HMDB0029830 10428959 NA NA C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)/C=C/C3=CC(=C(C=C3)O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0015049 Anileridine HMDB0015049 8944 61203 NA CCOC(=O)C1(CCN(CC1)CCC2=CC=C(C=C2)N)C3=CC=CC=C3 Organoheterocyclic compounds Piperidines Phenylpiperidines NA
C05795 D-Urobilin HMDB0004161 6276321 NA C05795 NA CCC1=C(C(=O)NC1CC2=C(C(=C(N2)/C=C\3/C(=C(C(=N3)CC4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C null null null map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
HMDB0015521 Sulfamerazine HMDB0015521 5325 102130 NA CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N Benzenoids Benzene and substituted derivatives Benzenesulfonamides NA
C15559 N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine HMDB0002496 11954205 52031 C15559 6701 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)OS(=O)(=O)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives NULL
HMDB0007004 CPA(18:0/0:0) HMDB0007004 51040919 NA NA CCCCCCCCCCCCCCCCCC(=O)OCC1COP(=O)(O1)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates NA
HMDB0034361 Olitorin HMDB0034361 3587049 NA NA CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)OC7C(C(C(C(O7)CO)O)O)O Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones NA
C05589 Normetanephrine HMDB0000819 1237 144308 C05589 66 COC1=C(C=CC(=C1)C(CN)O)O null null null map00350 Tyrosine metabolism; map01100 Metabolic pathways
HMDB0013302 Phenylalanylphenylalanine HMDB0013302 65104 356630 NA C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C06999 Fexofenadine HMDB0005030 3348 5050 C06999 2766 CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O Benzenoids Benzene and substituted derivatives Diphenylmethanes map04976 Bile secretion
C00378 Thiamine HMDB0000235 1130 18385 C00378 5242 CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives map00730 Thiamine metabolism; map01100 Metabolic pathways; map02010 ABC transporters; map04122 Sulfur relay system; map04977 Vitamin digestion and absorption
C02161 Questiomycin A HMDB0030483 72725 17293 C02161 NA C1=CC=C2C(=C1)N=C3C=C(C(=O)C=C3O2)N Organoheterocyclic compounds Benzoxazines Phenoxazines map00380 Tryptophan metabolism
C00085 Fructose 6-phosphate HMDB0000124 69507 15946 C00085 5159 C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O null null null map00052 Galactose metabolism; map00500 Starch and sucrose metabolism; map00680 Methane metabolism; map00710 Carbon fixation in photosynthetic organisms; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01200 Carbon metabolism; map04152 AMPK signaling pathway; map04922 Glucagon signaling pathway; map04931 Insulin resistance; map05230 Central carbon metabolism in cancer
HMDB0033207 Coagulin R 3-glucoside HMDB0033207 NA NA NA CC1=C(C)C(=O)OC(C1)C1(C)OC23CCC1(O)C2(C)CCC1C3CC=C2CC(CC(=O)C12C)OC1OC(CO)C(O)C(O)C1O Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones NA
C04216 All-trans-heptaprenyl diphosphate HMDB0012187 5280658 17613 C04216 NA CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)C Lipids and lipid-like molecules Prenol lipids Polyprenols map00900 Terpenoid backbone biosynthesis; map01110 Biosynthesis of secondary metabolites
C07184 Valaciclovir HMDB0014716 60773 35854 C07184 NA CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N null null null map04976 Bile secretion
HMDB0005096 N-Arachidonoyl glycine HMDB0005096 5283389 58961 NA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0030186 (E,E,E)-Sylvatine HMDB0030186 NA NA NA CC(C)CCC\C=C\CCCC\N=C(/O)\C=C\C=C/C1=CC2=C(OCO2)C=C1 Organoheterocyclic compounds Benzodioxoles null NA
HMDB0030200 Hovenine A HMDB0030200 5318090 NA NA CCC(C)C(C(=O)NC1C(OC2=CC=C(C=C2)/C=C\NC(=O)C(NC1=O)CC(C)C)C(C)C)NC Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0033899 Ixocarpanolide HMDB0033899 NA NA NA CC1CC(OC(=O)C1C)C(C)(O)C1CCC2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CCC12C Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones NA
HMDB0010355 Cholestane-3,7,12,25-tetrol-3-glucuronide HMDB0010355 42622727 NA C03033 NA C[C@H](CCCC(C)(C)O)[C@H]1CCC2[C@@]1([C@@H](CC3C2C(CC4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
C11135 Androsterone glucuronide HMDB0002829 114833 28832 C11135 2796 C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides map00140 Steroid hormone biosynthesis
C01851 Scopolamine HMDB0003573 NA 16794 C01851 3433 CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1 null null null map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
HMDB0032844 4,5-Dihydroniveusin A HMDB0032844 NA NA NA C\C=C(\C)C(=O)OC1CC2(C)OC(O)(CC2O)C(CO)CC2OC(=O)C(=C)C12 Lipids and lipid-like molecules Prenol lipids Terpene lactones NA
HMDB0035590 15-Acetoxyscirpene-3,4-diol 4-O-a-D-glucopyranoside HMDB0035590 NA NA NA CC(=O)OCC12CCC(C)=CC1OC1C(O)C(OC3OC(CO)C(O)C(O)C3O)C2(C)C11CO1 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids NA
HMDB0034610 Zucchini factor B HMDB0034610 NA NA NA CC1(COC(=O)C2=CC=CC=C2)CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(CCC5(C)C4=CCC3(C)C2C1)OC(=O)C1=CC=C(N)C=C1 Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
HMDB0029944 Ascorbalamic acid HMDB0029944 NA NA NA OC1COC(O)(C1O)C1(O)CC(N=C1O)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C00954 Indoleacetic acid HMDB0000197 802 16411 C00954 5211 C1=CC=C2C(=C1)C(=CN2)CC(=O)O Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives map00380 Tryptophan metabolism; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map04075 Plant hormone signal transduction
HMDB0000140 Glucosylceramide HMDB0000140 53477677 NA C01190 NA CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H](C([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
C06810 Aciclovir HMDB0014925 2022 2453 C06810 NA C1=NC2=C(N1COCCO)NC(=NC2=O)N Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives map04976 Bile secretion
C16355 7-Methyluric acid HMDB0011107 69160 149744 C16355 NA CN1C2=C(NC(=O)NC2=O)NC1=O Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives map00232 Caffeine metabolism
HMDB0028891 Histidinyl-Methionine HMDB0028891 NA NA NA CSCCC(NC(=O)C(N)CC1=CN=CN1)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0012632 20-CoA-20-oxo-leukotriene B4 HMDB0012632 53481505 NA NA CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CCCC/C=C\C[C@@H](/C=C/C=C/C=C\[C@@H](CCCC(=O)O)O)O)O Lipids and lipid-like molecules Fatty Acyls Fatty acyl thioesters NA
C02679 Dodecanoic acid HMDB0000638 3893 30805 C02679 5611 CCCCCCCCCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates map00061 Fatty acid biosynthesis; map00333 Prodigiosin biosynthesis; map01100 Metabolic pathways; map01130 Biosynthesis of antibiotics
C08331 Gynocardin HMDB0029913 122812 NA C08331 NA C1=CC(C(C1O)O)(C#N)OC2C(C(C(C(O2)CO)O)O)O null null null NULL
C00544 Homogentisic acid HMDB0000130 780 44747 C00544 331 C1=CC(=C(C=C1O)CC(=O)O)O Benzenoids Benzene and substituted derivatives Phenylacetic acids map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map00350 Tyrosine metabolism; map00643 Styrene degradation; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments
HMDB0028981 Methionyl-Proline HMDB0028981 NA NA NA CSCCC(N)C(=O)N1CCCC1C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0031184 N-Isobutyl-2,4,8,10,12-tetradecapentaenamide HMDB0031184 5318518 NA NA C/C=C/C=C/C=C/CC/C=C/C=C/C(=O)NCC(C)C Lipids and lipid-like molecules Fatty Acyls Fatty amides NA
HMDB0029336 Nummularine A HMDB0029336 NA NA C10011 NA CCC(C)C1\N=C(O)\C2C(CCN2C(=O)C(CC(C)C)\N=C(/O)C(CC2=CC=CC=C2)NC)OC2=CC=C(OC)C(=C2)\C=C\N=C1\O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0008858 PE(14:1(9Z)/16:1(9Z)) HMDB0008858 52924133 NA C00350 NA CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0033499 Lyciumoside IV HMDB0033499 NA NA NA CC1OC(OC2C(CO)OC(OC(C)(CC\C=C(/C)CC\C=C(\C)CC\C=C(/C)COC3OC(CO)C(O)C(O)C3O)C=C)C(O)C2O)C(O)C(O)C1O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
HMDB0013240 Indoleacetyl glutamine HMDB0013240 25200879 70811 NA C1=CC=C2C(=C1)C(=CN2)CC(=O)NC(CCC(=O)N)C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0028979 Methionyl-Methionine HMDB0028979 NA NA NA CSCCC(N)C(=O)NC(CCSC)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C08277 Sebacic acid HMDB0000792 5192 41865 C08277 4240 C(CCCCC(=O)O)CCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates NULL
C01069 Desulfoglucotropeolin METPA1778 NA NA C01069 NA NA null null null map00966 Glucosinolate biosynthesis; map01110 Biosynthesis of secondary metabolites; map01210 2-Oxocarboxylic acid metabolism
HMDB0000386 3b,16a-Dihydroxyandrostenone sulfate HMDB0000386 NA NA 5375 [H][C@@]12C[C@H](C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(O)=CC(=O)[C@]12C)OS(O)(=O)=O Lipids and lipid-like molecules Steroids and steroid derivatives Sulfated steroids NA
C02838 L-Octanoylcarnitine HMDB0000791 11953814 18102 C02838 NA CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C Lipids and lipid-like molecules Fatty Acyls Fatty acid esters NULL
C05956 Prostaglandin G2 HMDB0003235 5280883 27647 C05956 3508 CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)OO2)OO Lipids and lipid-like molecules Fatty Acyls Eicosanoids map00590 Arachidonic acid metabolism; map01100 Metabolic pathways; map04611 Platelet activation; map04726 Serotonergic synapse; map07034 Eicosanoids
HMDB0010344 Vitamin D2 3-glucuronide HMDB0010344 6443809 NA NA C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C\3/CC(CCC3=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Vitamin D and derivatives NA
HMDB0010393 LysoPC(20:3(5Z,8Z,11Z)) HMDB0010393 53480467 NA C04230 NA CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
C00903 Cinnamaldehyde HMDB0003441 637511 16731 C00903 6931 C1=CC=C(C=C1)/C=C/C=O Phenylpropanoids and polyketides Cinnamaldehydes null map00940 Phenylpropanoid biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04750 Inflammatory mediator regulation of TRP channels
HMDB0032995 2-Undecyl-4(1H)-quinolinone N-oxide HMDB0032995 NA NA NA CCCCCCCCCCCC1=CC(=O)C2=C(C=CC=C2)[N]1=O Organoheterocyclic compounds Quinolines and derivatives Quinolones and derivatives NA
HMDB0033335 Antibiotic X 14889C HMDB0033335 NA NA NA CCC(C1OC(C)(CC1C)C1(O)OC(CC)(CC1C)C(C)O)C(=O)C(C)C(O)C(C)C1OC(O)(CC(O)=O)C(C)CC1C Lipids and lipid-like molecules Prenol lipids Sesterterpenoids NA
HMDB0008832 PE(14:0/18:4(6Z,9Z,12Z,15Z)) HMDB0008832 52924941 NA C00350 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0015585 Chlophedianol HMDB0015585 2795 775264 NA CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2Cl)O Benzenoids Benzene and substituted derivatives Diphenylmethanes NA
C05200 3-Hexaprenyl-4,5-Dihydroxybenzoic acid HMDB0001063 5280760 18081 C05200 5976 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC(=C1)C(=O)O)O)O)/C)/C)/C)/C)/C)C Lipids and lipid-like molecules Prenol lipids Polyprenylphenols map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map01110 Biosynthesis of secondary metabolites
C06848 Betamethasone HMDB0014586 9782 3077 C06848 NA C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids NULL
C01691 Diflunisal HMDB0014999 3059 39669 C01691 NA C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O Benzenoids Benzene and substituted derivatives Biphenyls and derivatives NULL
C00735 Cortisol HMDB0000063 657311 NA C00735 5124 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@]4(C(=O)CO)O)C)O Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids map00140 Steroid hormone biosynthesis; map01100 Metabolic pathways; map04080 Neuroactive ligand-receptor interaction; map04927 Cortisol synthesis and secretion; map04934 Cushing syndrome; map04960 Aldosterone-regulated sodium reabsorption; map04976 Bile secretion; map05200 Pathways in cancer; map05215 Prostate cancer; map07225 Glucocorticoid and mineralocorticoid receptor agonists/antagonists
HMDB0034637 Phytolaccoside E HMDB0034637 NA NA NA COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
HMDB0031919 Chaetoglobosin N HMDB0031919 NA NA NA CC(C1NC(=O)C23C1C(C)C1(C)OC1C2\C=C\CC(C)\C=C(C)/C(=O)C(=O)CCC3=O)C1=CNC2=C1C=CC=C2 Alkaloids and derivatives Cytochalasans Chaetoglobosins NA
HMDB0004897 Ganglioside GA2 (d18:1/24:0) HMDB0004897 22833622 NA C06135 7154 CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
C06688 Rifampin HMDB0015179 NA 28077 C06688 NA [H]C(=NN1CCN(C)CC1)C1=C(O)C2=C3C(O)=C(C)C4=C2C(=O)[C@](C)(O4)O\C([H])=C([H])/[C@]([H])(OC)[C@@]([H])(C)[C@@]([H])(OC(C)=O)[C@]([H])(C)[C@]([H])(O)[C@]([H])(C)[C@@]([H])(O)[C@@]([H])(C)C([H])=C([H])\C([H])=C(C)/C(O)=NC1=C3O null null null map04976 Bile secretion
HMDB0030205 Jubanine A HMDB0030205 NA NA NA CCC(C)C1\N=C(O)\C2C(CCN2C(=O)C(CC2=CC=CC=C2)\N=C(/O)C(CC2=CC=CC=C2)N(C)C)OC2=CC=C(OC)C(=C2)\C=C\N=C1\O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0031611 Cyanidin 3-O-[b-D-Glucopyranosyl-(1->2)-[3,4-dihydroxy-E-cinnamoyl-(->6)]-b-D-glucopyranoside] 5-glucoside HMDB0031611 NA NA NA OCC1OC(OC2C(O)C(O)C(COC(=O)\C=C\C3=CC(O)=C(O)C=C3)OC2OC2=C([O+]=C3C=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides NA
C16505 (10S)-Juvenile hormone III diol METPA1787 NA NA C16505 NA NA null null null map00981 Insect hormone biosynthesis
HMDB0033389 C.I. Food Black 1 HMDB0033389 NA NA NA CC(=O)NC1=CC=C(C2=CC(=C(\N=N\C3=C4C=C(C=CC4=C(C=C3)\N=N\C3=CC=C(C=C3)S(O)(=O)=O)S(O)(=O)=O)C(O)=C12)S(O)(=O)=O)S(O)(=O)=O Benzenoids Naphthalenes Naphthalene sulfonic acids and derivatives NA
HMDB0035449 1beta,2alpha,3beta,19alpha-Tetrahydroxy-12-ursen-28-oic acid 28-O-[b-D-Glucopyranosyl-(1->2)-b-D-glucopyranosyl] ester HMDB0035449 NA NA NA CC1CCC2(CCC3(C)C(=CCC4C3(C)CCC3C(C)(C)C(O)C(O)C(O)C43C)C2C1(C)O)C(=O)OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
C01464 Xanthan HMDB0029923 NA 10057 C01464 NA CC(=O)OCC1OC(OC2C(O)C(CP)OC(CO)C2OC2OC(CO)C(OP)C(O)C2O)C(OC2OC(C(OC3OC4COC(C)(OC4C(O)C3O)C(O)=O)C(O)C2O)C(O)=O)C(O)C1O null null null NULL
C06424 Myristic acid HMDB0000806 11005 28875 C06424 196 CCCCCCCCCCCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates map00061 Fatty acid biosynthesis; map01100 Metabolic pathways
HMDB0004837 Galabiosylceramide (d18:1/24:1(15Z)) HMDB0004837 20057278 NA C06126 7096 CCCCCCCCCCCCC/C=C\C(C(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0008825 PE(14:0/16:1(9Z)) HMDB0008825 52924945 NA C00350 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
C00413 Streptomycin HMDB0015214 19649 17076 C00413 NA C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00521 Streptomycin biosynthesis; map01130 Biosynthesis of antibiotics
HMDB0033427 Betavulgaroside VII HMDB0033427 NA NA NA CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)C(O)=O)C6O)C(O)=O)C(C)(CO)C5CCC34C)C2C1)C(O)=O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
HMDB0015616 Telaprevir HMDB0015616 3010818 494996 NA CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5=NC=CN=C5 Organic acids and derivatives Peptidomimetics Hybrid peptides NA
HMDB0013239 Heptanoylcholine HMDB0013239 18025 NA NA CCCCCCC(=O)OCC[N+](C)(C)C Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts NA
C00397 Tobramycin HMDB0014822 36294 28864 C00397 NA C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00524 Neomycin, kanamycin and gentamicin biosynthesis; map01130 Biosynthesis of antibiotics
C07241 Salmeterol HMDB0015073 5152 64064 C07241 NA C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O Benzenoids Benzene and substituted derivatives Benzyl alcohols NULL
HMDB0015315 Domperidone HMDB0015315 3151 31515 NA C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O Organoheterocyclic compounds Benzimidazoles null NA
HMDB0034529 16-Acetylpriverogenin A HMDB0034529 612545 NA NA CC(=O)OC1CC2(C(=CCC3C2(CCC4C3(CCC(C4(C)C)O)C)C)C5C1(C(CC(C5)(C)C)O)C=O)C Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
HMDB0036031 Labienoxime HMDB0036031 6432934 NA NA CC(C)/C(=N/O)/C(C)(C)C/C=C(\C)/C=C Organic nitrogen compounds Organonitrogen compounds Oximes NA
HMDB0034504 Sericoside HMDB0034504 NA NA NA CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1O)C(=O)OC1OC(CO)C(O)C(O)C1O Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
HMDB0005360 TG(16:0/16:0/18:1(9Z)) HMDB0005360 25240460 NA C00422 4705 CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC Lipids and lipid-like molecules Glycerolipids Triradylcglycerols NA
C01204 Myo-inositol hexakisphosphate HMDB0003502 890 17401 C01204 6941 C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O null null null map00562 Inositol phosphate metabolism; map01100 Metabolic pathways; map04070 Phosphatidylinositol signaling system
C07904 Phendimetrazine HMDB0015519 12460 674499 C07904 NA CC1C(OCCN1C)C2=CC=CC=C2 null null null NULL
C01752 Scopoletin HMDB0034344 5280460 17488 C01752 NA COC1=C(C=C2C(=C1)C=CC(=O)O2)O Phenylpropanoids and polyketides Coumarins and derivatives Hydroxycoumarins map00940 Phenylpropanoid biosynthesis; map01061 Biosynthesis of phenylpropanoids; map01110 Biosynthesis of secondary metabolites
HMDB0015406 Glisoxepide HMDB0015406 32778 NA NA CC1=CC(=NO1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NN3CCCCCC3 Benzenoids Benzene and substituted derivatives Benzenesulfonamides NA
C00482 Sinapic acid HMDB0032616 637775 15714 C00482 NA COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives map00940 Phenylpropanoid biosynthesis; map01061 Biosynthesis of phenylpropanoids; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
HMDB0033685 alpha-Tocopherol succinate HMDB0033685 425400 22470 NA CC1=C2C(=C(C(=C1C)OC(=O)CCC(=O)O)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids NA
C05901 3,3',4'5-Tetrahydroxystilbene HMDB0004215 667639 28814 C05901 NA C1=CC(=C(C=C1/C=C/C2=CC(=CC(=C2)O)O)O)O Phenylpropanoids and polyketides Stilbenes null map00945 Stilbenoid, diarylheptanoid and gingerol biosynthesis; map01110 Biosynthesis of secondary metabolites
HMDB0031870 gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide HMDB0031870 NA NA NA C\C=C\S(=O)CC(NC(=O)CCC(N)C(O)=O)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0015680 Nonoxynol-9 HMDB0015680 72385 53775 NA CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO Organic oxygen compounds Organooxygen compounds Ethers NA
HMDB0032369 L-Menthyl acetoacetate HMDB0032369 43045 NA NA C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CC(=O)C)C(C)C Lipids and lipid-like molecules Prenol lipids Monoterpenoids NA
HMDB0015252 Gliclazide HMDB0015252 3475 31654 NA CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2 Benzenoids Benzene and substituted derivatives Benzenesulfonamides NA
C00835 Sepiapterin HMDB0000238 65253 804632 C00835 5244 C[C@@H](C(=O)C1=NC2=C(NC1)NC(=NC2=O)N)O Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives map00790 Folate biosynthesis; map01100 Metabolic pathways
C08317 12-Hydroxydodecanoic acid HMDB0002059 79034 39567 C08317 6465 C(CCCCCC(=O)O)CCCCCO Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives NULL
HMDB0032181 alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene) HMDB0032181 24838540 NA NA CCCCOCCOCC(C)OCCCOC Organooxygen compounds Ethers Dialkyl ethers NA
C00831 Pantetheine HMDB0003426 479 16753 C00831 6928 CC(C)(CO)C(C(=O)NCCC(=O)NCCS)O null null null map00332 Carbapenem biosynthesis; map00770 Pantothenate and CoA biosynthesis; map01130 Biosynthesis of antibiotics
HMDB0011480 LysoPE(0:0/18:4(6Z,9Z,12Z,15Z)) HMDB0011480 53480929 NA NA CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0031772 1-Methoxy-1-(2,4,5-trimethoxyphenyl)-2-propanol HMDB0031772 NA NA NA COC(C(C)O)C1=CC(OC)=C(OC)C=C1OC Benzenoids Benzene and substituted derivatives Phenylpropanes NA
HMDB0007645 DG(22:1(13Z)/24:1(15Z)/0:0) HMDB0007645 53478405 NA NA CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0033567 Cyclotetradecane HMDB0033567 67524 16968 NA C1CCCCCCCCCCCCC1 Hydrocarbons Saturated hydrocarbons Cycloalkanes NA
HMDB0033071 Propyl 1-(propylsulfinyl)propyl disulfide HMDB0033071 NA NA NA CCCSSC(CC)S(=O)CCC Organosulfur compounds Sulfoxides null NA
C18218 16-Hydroxy hexadecanoic acid HMDB0006294 7058075 55329 C18218 NA C(CCCCCCCC(=O)[O-])CCCCCCCO Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates map00073 Cutin, suberine and wax biosynthesis; map01100 Metabolic pathways
C00517 Palmitaldehyde HMDB0001551 984 17600 C00517 6317 CCCCCCCCCCCCCCCC=O Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes map00071 Fatty acid degradation
HMDB0011531 MG(0:0/14:1(9Z)/0:0) HMDB0011531 53480959 NA NA CCCC/C=C\CCCCCCCC(=O)OC(CO)CO Lipids and lipid-like molecules Glycerolipids Monoradylglycerols NA
HMDB0033679 Pelargonidin 3-sophoroside HMDB0033679 NA NA C16305 NA C[C@H]1[C@H](O[C@H]2[C@H](OC3=CC4=C(C=C(O)C=C4O)[O+]=C3C3=CC=C(O)C=C3)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides NA
HMDB0001410 2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine HMDB0001410 440598 NA C05255 NA CC(=O)C(=O)C1=NC2=C(NC(=NC2=O)N)N(C1O)O Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives NA
C01601 Pelargonic acid HMDB0000847 8158 29019 C01601 5810 CCCCCCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates NULL
HMDB0002250 Dodecanoylcarnitine HMDB0002250 168381 77086 6573 CCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C Lipids and lipid-like molecules Fatty Acyls Fatty acid esters NA
C01838 Stearaldehyde HMDB0002384 12533 17034 C01838 NA CCCCCCCCCCCCCCCCCC=O Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes NULL
HMDB0006202 4,8 Dimethylnonanoyl carnitine HMDB0006202 53477801 63874 NA CC(C)CCCC(C)CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C Lipids and lipid-like molecules Fatty Acyls Fatty acid esters NA
C09627 Capsidiol HMDB0002352 161937 28283 C09627 NA C[C@@H]1[C@@H](C[C@H](C2=CC[C@H](C[C@]12C)C(=C)C)O)O Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids map00909 Sesquiterpenoid and triterpenoid biosynthesis
HMDB0002327 1,11-Undecanedicarboxylic acid HMDB0002327 10458 73718 6622 C(CCCCCC(=O)O)CCCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates NA
C07180 Tripelennamine HMDB0014930 5587 331013 C07180 NA CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=N2 Benzenoids Benzene and substituted derivatives Benzylamines NULL
C17497 Zingerone HMDB0032590 31211 NA C17497 NA CC(=O)CCC1=CC(=C(C=C1)O)OC Benzenoids Benzene and substituted derivatives Phenols and derivatives NULL
C00329 Glucosamine HMDB0001514 439213 5417 C00329 266 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00520 Amino sugar and nucleotide sugar metabolism; map01100 Metabolic pathways; map02060 Phosphotransferase system (PTS)
HMDB0029913 Gynocardin HMDB0029913 122812 NA C08331 NA C1=CC(C(C1O)O)(C#N)OC2C(C(C(C(O2)CO)O)O)O Organooxygen compounds Carbohydrates and carbohydrate conjugates Glycosyl compounds NA
C06577 Cuminaldehyde HMDB0002214 326 366706 C06577 NA CC(C)C1=CC=C(C=C1)C=O Lipids and lipid-like molecules Prenol lipids Monoterpenoids map00622 Xylene degradation; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds
HMDB0030404 Armillaripin HMDB0030404 21124297 NA NA CC1=CC(=CC(=C1C(=O)OC2CC3(C2C(=CC4(C3CC(C4)(C)C)O)C=O)C)O)OC Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids NA
C01921 Glycocholic acid HMDB0000138 23617285 29746 C01921 5169 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)O)C null null null map00120 Primary bile acid biosynthesis; map00121 Secondary bile acid biosynthesis; map01100 Metabolic pathways; map04976 Bile secretion; map04979 Cholesterol metabolism
C00386 Carnosine HMDB0000033 439224 15727 C00386 38 C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN Organic acids and derivatives Peptidomimetics Hybrid peptides map00340 Histidine metabolism; map00410 beta-Alanine metabolism; map01100 Metabolic pathways
HMDB0013317 Tridecanoylglycine HMDB0013317 45357453 74437 NA CCCCCCCCCCCCC(=O)NCC(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0031830 Ginsenoside Rg5 HMDB0031830 59806994 NA NA CC(=CC/C=C(/C)\C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)C Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
C00803 Valeric acid HMDB0000892 7991 17418 C00803 110 CCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates NULL
C01571 Capric acid HMDB0000511 2969 30813 C01571 336 CCCCCCCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates map00061 Fatty acid biosynthesis; map01100 Metabolic pathways
C00921 7,8-Dihydropteroic acid HMDB0001412 170 4581 C00921 6228 C1C(=NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)O Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives map00790 Folate biosynthesis; map01100 Metabolic pathways
HMDB0005798 Malabaricone C HMDB0005798 100313 584521 NA C1=CC(=C(C(=C1)O)C(=O)CCCCCCCCC2=CC(=C(C=C2)O)O)O Organic oxygen compounds Organooxygen compounds Carbonyl compounds NA
C08322 Myristoleic acid HMDB0002000 5281119 27781 C08322 6424 CCCC/C=C\CCCCCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates NULL
C14996 2-Dodecanone HMDB0031019 22556 NA C14996 NA CCCCCCCCCCC(=O)C null null null NULL
C10434 Dattelic acid HMDB0033999 6124136 NA C10434 NA C1C(C(C(C=C1C(=O)O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O null null null map00940 Phenylpropanoid biosynthesis; map00941 Flavonoid biosynthesis; map00945 Stilbenoid, diarylheptanoid and gingerol biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
C10166 Piplartine HMDB0030341 637858 564921 C10166 NA COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O Phenylpropanoids and polyketides Cinnamic acids and derivatives null NULL
C16504 Juvenile hormone III acid METPA1788 NA NA C16504 NA NA null null null map00981 Insect hormone biosynthesis
C05028 Norethindrone HMDB0014855 6230 7627 C05028 NA C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34 Lipids and lipid-like molecules Steroids and steroid derivatives Estrane steroids NULL
C07366 Prazepam HMDB0015527 4890 195969 C07366 NA C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4 Organoheterocyclic compounds Benzodiazepines 1,4-benzodiazepines NULL
C07425 Pergolide HMDB0015317 47811 63617 C07425 NA CCCN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CSC Organoheterocyclic compounds Quinolines and derivatives Indoloquinolines NULL
HMDB0014563 Miglustat HMDB0014563 51634 50381 NA CCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O Organoheterocyclic compounds Piperidines null NA
C16300 Stearidonic acid HMDB0006547 5312508 32389 C16300 NA CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives map00592 alpha-Linolenic acid metabolism; map01110 Biosynthesis of secondary metabolites
C07195 Vidarabine HMDB0014340 21704 45327 C07195 NA C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O null null null NULL
C01479 Phenyllactic acid HMDB0000779 3848 25998 C01479 5745 C1=CC=C(C=C1)CC(C(=O)O)O Alkaloids and derivatives Tropane alkaloids null map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map01110 Biosynthesis of secondary metabolites
HMDB0033601 Dihydrojasmonic acid HMDB0033601 107126 NA NA CCCCCC1C(CCC1=O)CC(=O)O Lipids and lipid-like molecules Lineolic acids and derivatives Jasmonic acids NA
C02078 Spectinomycin HMDB0015055 15541 NA C02078 NA C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O Organoheterocyclic compounds Dioxanes 1,4-dioxanes map01130 Biosynthesis of antibiotics
C01484 Chalcone HMDB0003066 637760 48965 C01484 3342 C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2 null null null NULL
C04332 6,7-Dimethyl-8-(1-D-ribityl)lumazine HMDB0003826 672 17601 C04332 NA CC1=C(N(C2=NC(=O)NC(=O)C2=N1)CC(C(C(CO)O)O)O)C null null null map00740 Riboflavin metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
HMDB0011530 MG(0:0/14:0/0:0) HMDB0011530 137938 NA NA CCCCCCCCCCCCCC(=O)OC(CO)CO Lipids and lipid-like molecules Glycerolipids Monoradylglycerols NA
HMDB0030148 Prehumulinic acid HMDB0030148 NA NA NA CC(C)CCC(=O)C1=C(O)C(O)C(CC=C(C)C)C1=O Organic acids and derivatives Vinylogous acids null NA
C00642 p-Hydroxyphenylacetic acid HMDB0000020 127 18101 C00642 130 C1=CC(=CC=C1CC(=O)O)O Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids map00350 Tyrosine metabolism; map00360 Phenylalanine metabolism; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds
HMDB0013219 Behenoylglycine HMDB0013219 21445006 87764 NA CCCCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0029863 (3beta,22E)-26,27-Dinorergosta-5,22-dien-3-ol HMDB0029863 NA NA NA CC(C)\C=C/C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids NA
C01389 Phytol HMDB0002019 5280435 17327 C01389 391 C[C@@H](CCC[C@@H](C)CCC/C(=C/CO)/C)CCCC(C)C Lipids and lipid-like molecules Prenol lipids Diterpenoids NULL
HMDB0029586 Octadecylamine HMDB0029586 15793 63866 NA CCCCCCCCCCCCCCCCCCN Organonitrogen compounds Amines Primary amines NA
C01893 Biotin amide HMDB0001458 439597 16615 C01893 6255 C1[C@@H]2[C@H]([C@H](S1)CCCCC(=O)N)NC(=O)N2 null null null NULL
C07381 Propafenone HMDB0015313 4932 63619 C07381 NA CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids null NULL
C04742 15(S)-HETE HMDB0003876 5280724 15558 C04742 NA CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)O Lipids and lipid-like molecules Fatty Acyls Eicosanoids map00590 Arachidonic acid metabolism; map04750 Inflammatory mediator regulation of TRP channels
HMDB0031047 Avocadyne 2-acetate HMDB0031047 NA NA NA CC(=O)OC(CO)CC(O)CCCCCCCCCCCC#C Lipids and lipid-like molecules Fatty Acyls Fatty alcohols NA
C07119 Medroxyprogesterone HMDB0001939 10631 6715 C07119 1094 C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C Lipids and lipid-like molecules Steroids and steroid derivatives Pregnane steroids NULL
C03539 S-Ribosyl-L-homocysteine METPA0405 NA NA C03539 NA NA null null null map00270 Cysteine and methionine metabolism; map01100 Metabolic pathways; map01230 Biosynthesis of amino acids
HMDB0014370 Gadodiamide HMDB0014370 60754 31642 C13106 NA CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O.[Gd+3] Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0029903 3,5-Dicaffeoyl-4-succinoylquinic acid HMDB0029903 10603854 NA NA C1C(CC(C(C1OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)CCC(=O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)(O)C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Pentacarboxylic acids and derivatives NA
HMDB0012082 LysoSM(d18:0) HMDB0012082 44260122 132478 NA CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)N)O Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids NA
HMDB0029346 Neryl glucoside HMDB0029346 NA NA NA CC(C)=CCC\C(C)=C/COC1OC(CO)C(O)C(O)C1O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
HMDB0014008 Hydroxylansoprazole HMDB0014008 9800271 NA NA CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)O)OCC(F)(F)F Organoheterocyclic compounds Benzimidazoles Sulfinylbenzimidazoles NA
HMDB0029542 Clusin HMDB0029542 44575537 582747 NA COC1=CC(=CC(=C1OC)OC)CC2C(COC2O)CC3=CC4=C(C=C3)OCO4 Lignans, neolignans and related compounds Furanoid lignans Tetrahydrofuran lignans NA
C16537 Pentadecanoic acid HMDB0000826 13849 NA C16537 5789 CCCCCCCCCCCCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates NULL
HMDB0010383 LysoPC(16:1(9Z)) HMDB0010383 24779461 NA C04230 NA CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0035877 (Z)-13-Hexadecenoic acid HMDB0035877 5312416 NA NA CC/C=C\CCCCCCCCCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates NA
HMDB0011487 LysoPE(0:0/20:4(5Z,8Z,11Z,14Z)) HMDB0011487 53480936 72741 NA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
C13856 2-Arachidonylglycerol HMDB0004666 5282280 52392 C13856 NA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO Lipids and lipid-like molecules Endocannabinoids null map04080 Neuroactive ligand-receptor interaction; map04714 Thermogenesis; map04723 Retrograde endocannabinoid signaling
HMDB0012496 1-Lyso-2-arachidonoyl-phosphatidate HMDB0012496 53481443 78209 NA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)([O-])[O-] Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates NA
HMDB0032740 N-Hexadecanoylpyrrolidine HMDB0032740 247220 NA NA CCCCCCCCCCCCCCCC(=O)N1CCCC1 Organoheterocyclic compounds Pyrrolidines N-acylpyrrolidines NA
C04453 4-alpha-Methyl-5-alpha-cholest-7-en-3-one HMDB0011606 440345 16495 C04453 NA C[C@H]1[C@@H]2CC=C3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(CCC1=O)C)C)[C@H](C)CCCC(C)C Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids NULL
C01767 (R)-Carvone HMDB0035089 439570 15400 C01767 NA CC1=CC[C@H](CC1=O)C(=C)C Lipids and lipid-like molecules Prenol lipids Monoterpenoids map00902 Monoterpenoid biosynthesis; map00903 Limonene and pinene degradation; map01110 Biosynthesis of secondary metabolites
C08261 Azelaic acid HMDB0000784 2266 48131 C08261 5750 C(CCCC(=O)O)CCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates NULL
HMDB0034430 6-Deoxohomodolichosterone HMDB0034430 NA NA NA C\C=C(/C(C)C)C(O)C(O)C(C)C1CCC2C3CCC4CC(O)C(O)CC4(C)C3CCC12C Lipids and lipid-like molecules Steroids and steroid derivatives Stigmastanes and derivatives NA
HMDB0034352 Morellinol HMDB0034352 NA NA NA CC(C)=CCC1=C2OC34C5CC(C=C3C(=O)C2=C(O)C2=C1OC(C)(C)C=C2)C(=O)C4(C\C=C(\C)CO)OC5(C)C Organoheterocyclic compounds Benzopyrans 1-benzopyrans NA
C08283 (S)-Homostachydrine HMDB0033433 441447 NA C08283 NA C[N+]1(CCCC[C@H]1C(=O)[O-])C null null null NULL
C01408 Benzoin HMDB0032039 8400 17682 C01408 NA C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O Phenylpropanoids and polyketides Stilbenes Benzoins NULL
C08320 Tetracosanoic acid HMDB0002003 11197 28866 C08320 6427 CCCCCCCCCCCCCCCCCCCCCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates map01040 Biosynthesis of unsaturated fatty acids
HMDB0010381 LysoPC(15:0) HMDB0010381 24779458 580912 C04230 NA CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0007527 DG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) HMDB0007527 9543946 NA NA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
C06838 Azythromycin HMDB0001916 53477736 NA C06838 NA CC[C@H]1[C@@]([C@@H]([C@@H](N(C[C@H](C[C@]([C@H]([C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@@H]2C[C@]([C@@H]([C@H](O2)C)O)(C)OC)C)O[C@@H]3[C@H]([C@@H](C[C@@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O null null null NULL
C07143 Mesoridazine HMDB0015068 4078 6780 C07143 NA CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)C Organoheterocyclic compounds Benzothiazines Phenothiazines NULL
C00399 Ubiquinone-1 HMDB0002012 4462 16389 C00399 6435 CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map00190 Oxidative phosphorylation; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map02020 Two-component system
C00353 Geranylgeranyl-PP HMDB0004486 447277 48861 C00353 NA CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)/C)C Lipids and lipid-like molecules Prenol lipids Diterpenoids map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map00403 Indole diterpene alkaloid biosynthesis; map00900 Terpenoid backbone biosynthesis; map00904 Diterpenoid biosynthesis; map00906 Carotenoid biosynthesis; map00999 Biosynthesis of secondary metabolites - unclassified; map01060 Biosynthesis of plant secondary metabolites; map01062 Biosynthesis of terpenoids and steroids; map01066 Biosynthesis of alkaloids derived from terpenoid and polyketide; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics
HMDB0029887 Sorbitan palmitate HMDB0029887 4122814 NA NA CCCCCCCCCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O Lipids and lipid-like molecules Fatty Acyls Fatty acid esters NA
HMDB0011473 LysoPE(0:0/16:0) HMDB0011473 53480922 131743 NA CCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0028798 Glutaminylhydroxyproline HMDB0028798 NA NA NA NC(CCC(N)=O)C(=O)N1CC(O)CC1C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0005776 Kentsin HMDB0005776 171541 NA NA C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)O)N)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C08308 Hordatine B HMDB0030459 NA NA C08308 NA COC1=C2OC(C(C(=O)NCCCCNC(N)=N)C2=CC(\C=C/C(=O)NCCCCNC(N)=N)=C1)C1=CC=C(O)C=C1 null null null NULL
HMDB0002361 Pentacosanoic acid HMDB0002361 10468 39420 4209 CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates NA
HMDB0013208 9-Hexadecenoylcholine HMDB0013208 22155839 NA NA CCCCCC/C=C/CCCCCCCC(=O)OCC[N+](C)(C)C Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts NA
HMDB0032247 (Z)-4-Dodecenal HMDB0032247 10976419 NA NA CCCCCCCC/C=C/CCC=O Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes NA
C09690 alpha-Irone HMDB0035631 5371002 10284 C09690 NA CC1CC=C(C(C1(C)C)/C=C/C(=O)C)C null null null NULL
C12100 Cyclohexaneundecanoic acid HMDB0030997 192796 NA C12100 NA C1CCC(CC1)CCCCCCCCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates NULL
C02993 Kyotorphin HMDB0005768 123804 17537 C02993 NA C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NULL
C06963 Dipivefrin HMDB0014592 3105 4646 C06963 NA CC(C)(C)C(=O)OC1=C(C=C(C=C1)C(CNC)O)OC(=O)C(C)(C)C Benzenoids Phenol esters null NULL
HMDB0007730 DG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) HMDB0007730 53478483 NA NA CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0010581 PG(16:0/22:4(7Z,10Z,13Z,16Z)) HMDB0010581 52927231 NA NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols NA
C07225 Minocycline HMDB0015152 NA 50694 C07225 NA [H][C@@]12CC3=C(C(O)=CC=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2 Phenylpropanoids and polyketides Tetracyclines null NULL
C00280 Androstenedione HMDB0000053 6128 16422 C00280 2795 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids map00140 Steroid hormone biosynthesis; map00984 Steroid degradation; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01522 Endocrine resistance; map04913 Ovarian steroidogenesis; map04917 Prolactin signaling pathway; map05200 Pathways in cancer; map05215 Prostate cancer
HMDB0014924 Marimastat HMDB0014924 119031 50662 NA CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C Organic oxygen compounds Organooxygen compounds Alcohols and polyols NA
HMDB0002277 2,3-Dinor-6-keto-prostaglandin F1 a HMDB0002277 53477747 NA NA CCCCC[C@@H](/C=C/[C@H]1[C@H](C[C@@H]([C@@H]1CC(=O)CCC(=O)O)O)O)O Lipids and lipid-like molecules Fatty Acyls Eicosanoids NA
HMDB0035212 Sonchuionoside C HMDB0035212 NA NA NA CC(=O)\C=C\C1=C(C)C(O)C(CC1(C)C)OC1OC(CO)C(O)C(O)C1O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
HMDB0033985 Mulberrofuran S HMDB0033985 NA NA NA CC12OC3=C(C=CC(O)=C3)C(C1O)C1=C(OC3=C(C(O)=CC(=C3)C3=CC4=C(O3)C=C(O)C=C4)C1=C2)C1=C(O)C=C(O)C=C1 Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids null NA
C02325 Sinapyl alcohol HMDB0013070 5280507 64557 C02325 NA COC1=CC(=CC(=C1O)OC)/C=C/CO Benzenoids Phenols Methoxyphenols map00940 Phenylpropanoid biosynthesis; map01061 Biosynthesis of phenylpropanoids; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
C00843 (-)-Menthone HMDB0035162 26447 15410 C00843 NA C[C@@H]1CC[C@H](C(=O)C1)C(C)C Lipids and lipid-like molecules Prenol lipids Monoterpenoids map00902 Monoterpenoid biosynthesis; map01110 Biosynthesis of secondary metabolites
HMDB0035679 1-Hydroxy-1-phenyl-3-octadecanone HMDB0035679 NA NA NA CCCCCCCCCCCCCCCC(=O)CC(O)C1=CC=CC=C1 Lipids and lipid-like molecules Fatty Acyls Fatty alcohols NA
HMDB0012108 LysoPC(17:0) HMDB0012108 24779463 580913 C04230 NA CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0008851 PE(14:0/P-18:0) HMDB0008851 53479560 NA C00350 NA CCCCCCCCCCCCCCCC/C=C\O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0010392 LysoPC(20:2(11Z,14Z)) HMDB0010392 52924053 NA C04230 NA CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0029341 Ceanothine D HMDB0029341 NA NA NA CCC(C)C1OC2=CC=C(C=C2)\C=C/NC(=O)C(CC(C)C)NC(=O)C1NC(=O)C1CCCN1C Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0032525 Tetradec-2-enal HMDB0032525 5283366 NA NA CCCCCCCCCCC/C=C/C=O Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes NA
HMDB0035279 8-Methyl-3-hentriacontene HMDB0035279 NA NA NA CCCCCCCCCCCCCCCCCCCCCCCC(C)CCC\C=C\CC Hydrocarbons Unsaturated hydrocarbons Unsaturated aliphatic hydrocarbons NA
HMDB0003603 CE(10:0) HMDB0003603 4225619 NA C02530 NA CCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C Lipids and lipid-like molecules Steroids and steroid derivatives Steroid esters NA
HMDB0007079 DG(15:0/20:1(11Z)/0:0) HMDB0007079 53478008 NA NA CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
C00319 Sphingosine HMDB0000252 5353955 16393 C00319 392 CCCCCCCCCCCCC/C=C/C(C(CO)N)O null null null map00600 Sphingolipid metabolism; map01100 Metabolic pathways; map04071 Sphingolipid signaling pathway; map04210 Apoptosis; map04217 Necroptosis
HMDB0031964 (3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol HMDB0031964 NA NA NA COC1OC2(CC3CCC(O)C(C)C3(C)C(OC(=O)C(\C)=C\C)C2=C1C)OC Organoheterocyclic compounds Naphthofurans null NA
C15802 6-Deoxocastasterone HMDB0033984 13870433 20712 C15802 NA C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O null null null map00905 Brassinosteroid biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
HMDB0011760 Cer(d18:0/16:0) HMDB0011760 5283572 67042 NA CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Ceramides NA
HMDB0007860 PA(16:0/18:2(9Z,12Z)) HMDB0007860 9547167 NA C00416 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates NA
HMDB0029888 Sorbitan stearate HMDB0029888 3793749 NA NA CCCCCCCCCCCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O Lipids and lipid-like molecules Fatty Acyls Fatty acid esters NA
HMDB0033467 Dicaffeoylputrescine HMDB0033467 11538839 NA NA C1=CC(=C(C=C1/C=C/C(=O)NCCCCNC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives NA
C15658 6-(alpha-D-Glucosaminyl)-1D-myo-inositol HMDB0011668 NA 44230 C15658 NA N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NULL
C05552 Biocytin HMDB0003134 83814 27870 C05552 NA C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2 null null null map00780 Biotin metabolism; map01100 Metabolic pathways; map04977 Vitamin digestion and absorption
HMDB0034091 Ponasteroside A HMDB0034091 631338 NA NA CC(C)CCC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)OC5C(C(C(C(O5)CO)O)O)O)O)C)C)O)O)O Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
HMDB0029797 (Z)-15-Oxo-11-eicosenoic acid HMDB0029797 NA NA NA CCCCCC(=O)CC\C=C\CCCCCCCCCC(O)=O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates NA
C01301 3a,7a,12a-Trihydroxy-5b-cholestan-26-al HMDB0003533 439479 16466 C01301 NA C[C@H](CCCC(C)C=O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives map00120 Primary bile acid biosynthesis; map01100 Metabolic pathways
HMDB0010391 LysoPC(20:1(11Z)) HMDB0010391 52924051 NA C04230 NA CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0031111 5,10-Pentadecadien-1-ol HMDB0031111 6536885 NA NA CCCC/C=C/CCC/C=C/CCCCO Lipids and lipid-like molecules Fatty Acyls Fatty alcohols NA
HMDB0000560 5,8-Tetradecadienoic acid HMDB0000560 5312409 70719 5544 CCCCC/C=C\C/C=C\CCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates NA
C00599 Cholestenone HMDB0000921 91477 16175 C00599 3898 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids map00984 Steroid degradation; map01120 Microbial metabolism in diverse environments
C10544 8-Acetoxypinoresinol HMDB0033280 4485133 NA C10544 NA CC(=O)OC12COC(C1COC2C3=CC(=C(C=C3)O)OC)C4=CC(=C(C=C4)O)OC null null null NULL
C02010 Blasticidin S HMDB0030452 258 1145895 C02010 NA CN(CCC(CC(=O)NC1C=CC(OC1C(=O)O)N2C=CC(=NC2=O)N)N)C(=N)N null null null NULL
HMDB0002157 27-Norcholestanehexol HMDB0002157 196302 NA NA C[C@H](CCC(C(CO)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives NA
C01588 Ibuprofen HMDB0001925 3672 5855 C01588 572 CC(C)CC1=CC=C(C=C1)C(C)C(=O)O Phenylpropanoids and polyketides Phenylpropanoic acids null NULL
C07023 Granisetron HMDB0015026 3510 154547 C07023 NA CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C null null null NULL
HMDB0012146 2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol HMDB0012146 53481381 NA NA CC1=C(C(=C(C(=C1O)O)OC)O)C/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\CCC=C(C)C Lipids and lipid-like molecules Prenol lipids Polyprenylphenols NA
HMDB0013286 N-Undecanoylglycine HMDB0013286 454092 74438 NA CCCCCCCCCCC(=O)NCC(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C07202 Metoprolol HMDB0001932 4171 6904 C07202 1250 CC(C)NCC(COC1=CC=C(C=C1)CCOC)O Benzenoids Phenols Tyrosols and derivatives NULL
HMDB0034510 Erythrodiol 3-decanoate HMDB0034510 NA NA NA CCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(CO)CCC32C)C1(C)C Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
C13846 Octadecanamide HMDB0034146 31292 34900 C13846 NA CCCCCCCCCCCCCCCCCC(=O)N Lipids and lipid-like molecules Fatty Acyls Fatty amides NULL
HMDB0011149 LysoPC(O-18:0) HMDB0011149 2733532 560225 C04317 NA CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
C16182 beta-2,3,5,6-Tetrachloro-1,4-cyclohexanediol MA3TEM051 47205491 NA C16182 NA CC(C(=O)NC1=NC2=CC=CC=C2S1)N3C=CN=C3 null null null map00361 Chlorocyclohexane and chlorobenzene degradation; map01120 Microbial metabolism in diverse environments
C01251 Homocitric acid HMDB0003518 439459 52222 C01251 6943 C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives map00300 Lysine biosynthesis; map00620 Pyruvate metabolism; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids
C11536 (2R)-Phosphosulfolactate MA3TEM067 13703 NA C11536 NA CC1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl null null null map00680 Methane metabolism; map01120 Microbial metabolism in diverse environments
HMDB0032787 Kaempferol 3-(2'''-caffeoylsophoroside) 7-cellobioside HMDB0032787 NA NA NA OCC1OC(OC2C(CO)OC(OC3=CC(O)=C4C(OC(C5=CC=C(O)C=C5)=C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5OC(=O)\C=C\C5=CC(O)=C(O)C=C5)C4=O)=C3)C(O)C2O)C(O)C(O)C1O Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides NA
HMDB0032789 Kaempferol 3-(2'''-sinapoylsophoroside) 7-cellobioside HMDB0032789 NA NA NA COC1=CC(\C=C\C(=O)OC2C(OC3C(OC4=C(OC5=CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)=CC(O)=C5C4=O)C4=CC=C(O)C=C4)OC(CO)C(O)C3O)OC(CO)C(O)C2O)=CC(OC)=C1O Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides NA
HMDB0030879 Methyl methylthio selenide HMDB0030879 12916333 NA NA CS[Se]C Organosulfur compounds Thioselenides null NA
HMDB0005389 TG(16:0/18:2(9Z,12Z)/20:1(11Z)) HMDB0005389 9544231 NA C00422 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerolipids Triradylcglycerols NA
HMDB0008553 PC(22:0/24:1(15Z)) HMDB0008553 24779122 NA C00157 NA CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0008289 PC(20:0/24:0) HMDB0008289 53478885 NA C00157 NA CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0008816 PC(24:1(15Z)/24:1(15Z)) HMDB0008816 6452499 NA C00157 NA CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
C02041 Eicosanoyl-CoA HMDB0004258 16061151 15527 C02041 NA CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O null null null map01040 Biosynthesis of unsaturated fatty acids; map01212 Fatty acid metabolism
HMDB0031110 Glycerol tritridecanoate HMDB0031110 117811 NA NA CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC Lipids and lipid-like molecules Glycerolipids Triradylcglycerols NA
HMDB0007996 PC(16:0/P-18:1(11Z)) HMDB0007996 53478675 NA C00157 NA CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0011300 PC(P-18:1(11Z)/P-18:1(11Z)) HMDB0011300 NA NA NA [H][C@@](CO\C=C/CCCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)O\C=C/CCCCCCCC\C=C/CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0007947 PC(15:0/20:3(5Z,8Z,11Z)) HMDB0007947 53478647 NA C00157 NA CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0009639 PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0009639 53479935 NA C00350 NA CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0008182 PC(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) HMDB0008182 52922807 NA C00157 NA CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
C06573 Amphotericin B HMDB0014819 5280965 2682 C06573 NA C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map01052 Type I polyketide structures
C02593 Tetradecanoyl-CoA HMDB0001521 65113 15532 C02593 3707 CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O null null null map00062 Fatty acid elongation; map00071 Fatty acid degradation; map01100 Metabolic pathways; map01212 Fatty acid metabolism
HMDB0032677 Soyacerebroside I HMDB0032677 NA NA NA CCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C/CC\C=C/CCCCCCCCC Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0007897 PC(14:0/P-18:1(11Z)) HMDB0007897 53478619 NA C00157 NA CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0008913 PE(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0008913 52924176 NA C00350 NA CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0014481 Pimecrolimus HMDB0014481 17753757 NA NA CC[C@@H]1/C=C(\C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@@H]([C@@H](C4)OC)Cl)/C)O)C)OC)OC)C)/C Phenylpropanoids and polyketides Macrolide lactams null NA
HMDB0011764 Cer(d18:0/20:0) HMDB0011764 5283574 67027 NA CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Ceramides NA
HMDB0009215 PE(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z)) HMDB0009215 53479707 NA C00350 NA CCCCCC/C=C\CCCCCCCC/C=C\O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0008847 PE(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0008847 52924936 NA C00350 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
C05261 3-Oxotetradecanoyl-CoA HMDB0003935 11966197 28726 C05261 NA CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O Lipids and lipid-like molecules Fatty Acyls Fatty acyl thioesters map00062 Fatty acid elongation; map00071 Fatty acid degradation; map01100 Metabolic pathways; map01212 Fatty acid metabolism
C05272 (2E)-Hexadecenoyl-CoA HMDB0003945 46173176 61526 C05272 NA CCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)([O-])[O-])O null null null map00062 Fatty acid elongation; map00071 Fatty acid degradation; map01100 Metabolic pathways; map01212 Fatty acid metabolism
C00064 L-Glutamine HMDB0000641 5961 18050 C00064 5614 C(CC(=O)N)[C@@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00220 Arginine biosynthesis; map00230 Purine metabolism; map00240 Pyrimidine metabolism; map00250 Alanine, aspartate and glutamate metabolism; map00471 D-Glutamine and D-glutamate metabolism; map00630 Glyoxylate and dicarboxylate metabolism; map00910 Nitrogen metabolism; map00970 Aminoacyl-tRNA biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01230 Biosynthesis of amino acids; map02010 ABC transporters; map02020 Two-component system; map04724 Glutamatergic synapse; map04727 GABAergic synapse; map04964 Proximal tubule bicarbonate reclamation; map04974 Protein digestion and absorption; map04978 Mineral absorption; map05230 Central carbon metabolism in cancer
HMDB0008984 PE(16:1(9Z)/P-18:1(11Z)) HMDB0008984 53479607 NA C00350 NA CCCCCC/C=C\CCCCCCCC/C=C\O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0007877 PC(14:0/18:4(6Z,9Z,12Z,15Z)) HMDB0007877 24778627 NA C00157 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0013472 PGP(16:0/16:0) HMDB0013472 49859598 NA NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerophosphates NA
HMDB0009203 PE(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) HMDB0009203 52924463 NA C00350 NA CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0013493 PGP(16:1(9Z)/18:3(6Z,9Z,12Z)) HMDB0013493 53481813 NA NA CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerophosphates NA
HMDB0030525 Rhizonin A HMDB0030525 163494 NA NA CCC(C)C1C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N1)CC2=COC=C2)C)C)C)CC(C)C)CC3=COC=C3)C)C(C)C)C(C)C Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C00593 Sulfoacetaldehyde METPA0059 NA NA C00593 NA NA null null null map00430 Taurine and hypotaurine metabolism; map00680 Methane metabolism; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments
HMDB0009512 PE(22:0/P-18:1(11Z)) HMDB0009512 53479850 NA C00350 NA CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
C00077 Ornithine HMDB0000214 6262 15729 C00077 27 C(C[C@@H](C(=O)O)N)CN Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00220 Arginine biosynthesis; map00330 Arginine and proline metabolism; map00472 D-Arginine and D-ornithine metabolism; map00480 Glutathione metabolism; map00999 Biosynthesis of secondary metabolites - unclassified; map01060 Biosynthesis of plant secondary metabolites; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map02010 ABC transporters
C00121 D-Ribose HMDB0000283 5779 16988 C00121 313 C([C@@H]1[C@H]([C@H](C(O1)O)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00030 Pentose phosphate pathway; map02010 ABC transporters; map02030 Bacterial chemotaxis
HMDB0031700 1-(Malonylamino)cyclopropanecarboxylic acid HMDB0031700 133503 NA NA C1CC1(C(=O)O)NC(=O)CC(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0034881 3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propanoic acid HMDB0034881 NA NA NA OC(=O)CCC1NC(CC2=C1NC1=CC=CC=C21)C(O)=O Alkaloids and derivatives Harmala alkaloids null NA
HMDB0035454 YGM 5A HMDB0035454 NA NA NA COC1=C(O)C=CC(=C1)C1=[O+]C2=C(C=C1OC1OC(COC(=O)\C=C\C3=CC=C(O)C(O)=C3)C(O)C(O)C1OC1OC(COC(=O)C3=CC=C(O)C=C3)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)=CC(O)=C2 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides NA
C00184 Dihydroxyacetone HMDB0001882 670 16016 C00184 6368 C(C(=O)CO)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00561 Glycerolipid metabolism; map00680 Methane metabolism; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01200 Carbon metabolism
C00606 3-Sulfinoalanine HMDB0000996 439270 41721 C00606 5927 C([C@@H](C(=O)O)N)S(=O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00270 Cysteine and methionine metabolism; map00430 Taurine and hypotaurine metabolism; map01100 Metabolic pathways
C01551 Allantoin HMDB0000462 204 15676 C01551 89 C1(C(=O)NC(=O)N1)NC(=O)N Organoheterocyclic compounds Azoles Imidazoles NULL
HMDB0007875 PC(14:0/18:3(6Z,9Z,12Z)) HMDB0007875 52922220 NA C00157 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC null null null NA
HMDB0010666 PG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) HMDB0010666 52926645 NA NA CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols NA
C08425 Progoitrin HMDB0034071 NA 8454 C08425 NA OCC1OC(S\C(CC(O)C=C)=N\OS(O)(=O)=O)C(O)C(O)C1O null null null NULL
C00063 Cytidine triphosphate HMDB0000082 6176 17677 C00063 5136 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00240 Pyrimidine metabolism; map00515 Mannose type O-glycan biosynthesis; map01100 Metabolic pathways
C00140 N-Acetyl-D-glucosamine HMDB0000215 439174 506227 C00140 3356 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00520 Amino sugar and nucleotide sugar metabolism; map01100 Metabolic pathways; map02010 ABC transporters; map02060 Phosphotransferase system (PTS)
C00224 Adenosine phosphosulfate HMDB0001003 10238 17709 C00224 5933 C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OS(=O)(=O)O)O)O Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides map00230 Purine metabolism; map00261 Monobactam biosynthesis; map00920 Sulfur metabolism; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics
HMDB0031968 Malvidin 3-glucoside-4-vinylphenol HMDB0031968 NA NA NA COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=C(O)C=C1)=CC(O)=C2 Phenylpropanoids and polyketides Tannins Proanthocyanidins NA
C00355 L-Dopa HMDB0000181 6047 15765 C00355 42 C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00350 Tyrosine metabolism; map00950 Isoquinoline alkaloid biosynthesis; map00965 Betalain biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04728 Dopaminergic synapse; map04917 Prolactin signaling pathway; map05012 Parkinson disease; map05030 Cocaine addiction; map05031 Amphetamine addiction; map05034 Alcoholism
C05283 N2-gamma-Glutamylglutamine HMDB0011738 150914 73707 C05283 NA C(CC(=O)N[C@@H](CCC(=O)N)C(=O)O)[C@@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NULL
HMDB0015685 Azidocillin HMDB0015685 15574941 51758 NA CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N=[N+]=[N-])C(=O)O)C Organoheterocyclic compounds Lactams Beta lactams NA
HMDB0002220 N-Acetyl-6-O-L-fucosyl-D-glucosamine HMDB0002220 22833588 NA NA C[C@H]1[C@H]([C@H]([C@@H](C(O1)OCC([C@H]([C@@H]([C@H](C=O)NC(=O)C)O)O)O)O)O)O Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides NA
C06879 Cefamandole HMDB0015421 456255 3480 C06879 NA CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)O)SC2)C(=O)O Organoheterocyclic compounds Lactams Beta lactams NULL
C01847 FMNH2 HMDB0001142 445395 16048 C01847 6034 CC1=CC2=C(C=C1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O Nucleosides, nucleotides, and analogues Flavin nucleotides null map00740 Riboflavin metabolism; map01057 Biosynthesis of type II polyketide products; map01100 Metabolic pathways
HMDB0005788 Theaflavin HMDB0005788 22833651 NA NA C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C=C(C(=C4O)O)[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)O)O)O Phenylpropanoids and polyketides Flavonoids Flavans NA
HMDB0032778 Kaempferol 3-(2'',4''-di-(Z)-p-coumaroylrhamnoside) HMDB0032778 NA NA NA CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC(=O)\C=C\C2=CC=C(O)C=C2)C(O)C1OC(=O)\C=C\C1=CC=C(O)C=C1 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides NA
C00122 Fumaric acid HMDB0000134 444972 18012 C00122 3242 C(=C/C(=O)O)\C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives map00020 Citrate cycle (TCA cycle); map00190 Oxidative phosphorylation; map00220 Arginine biosynthesis; map00250 Alanine, aspartate and glutamate metabolism; map00350 Tyrosine metabolism; map00360 Phenylalanine metabolism; map00620 Pyruvate metabolism; map00643 Styrene degradation; map00650 Butanoate metabolism; map00720 Carbon fixation pathways in prokaryotes; map00760 Nicotinate and nicotinamide metabolism; map01060 Biosynthesis of plant secondary metabolites; map01061 Biosynthesis of phenylpropanoids; map01062 Biosynthesis of terpenoids and steroids; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01066 Biosynthesis of alkaloids derived from terpenoid and polyketide; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism; map01220 Degradation of aromatic compounds; map02020 Two-component system; map04922 Glucagon signaling pathway; map05200 Pathways in cancer; map05211 Renal cell carcinoma; map05230 Central carbon metabolism in cancer
C00022 Pyruvic acid HMDB0000243 1060 32816 C00022 117 CC(=O)C(=O)O Organic acids and derivatives Keto acids and derivatives Alpha-keto acids and derivatives map00010 Glycolysis / Gluconeogenesis; map00020 Citrate cycle (TCA cycle); map00030 Pentose phosphate pathway; map00040 Pentose and glucuronate interconversions; map00053 Ascorbate and aldarate metabolism; map00250 Alanine, aspartate and glutamate metabolism; map00260 Glycine, serine and threonine metabolism; map00261 Monobactam biosynthesis; map00270 Cysteine and methionine metabolism; map00290 Valine, leucine and isoleucine biosynthesis; map00330 Arginine and proline metabolism; map00350 Tyrosine metabolism; map00360 Phenylalanine metabolism; map00362 Benzoate degradation; map00430 Taurine and hypotaurine metabolism; map00440 Phosphonate and phosphinate metabolism; map00473 D-Alanine metabolism; map00620 Pyruvate metabolism; map00621 Dioxin degradation; map00622 Xylene degradation; map00630 Glyoxylate and dicarboxylate metabolism; map00650 Butanoate metabolism; map00660 C5-Branched dibasic acid metabolism; map00680 Methane metabolism; map00710 Carbon fixation in photosynthetic organisms; map00720 Carbon fixation pathways in prokaryotes; map00730 Thiamine metabolism; map00760 Nicotinate and nicotinamide metabolism; map00770 Pantothenate and CoA biosynthesis; map00900 Terpenoid backbone biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01061 Biosynthesis of phenylpropanoids; map01062 Biosynthesis of terpenoids and steroids; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01066 Biosynthesis of alkaloids derived from terpenoid and polyketide; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism; map01210 2-Oxocarboxylic acid metabolism; map01220 Degradation of aromatic compounds; map01230 Biosynthesis of amino acids; map01502 Vancomycin resistance; map02060 Phosphotransferase system (PTS); map04066 HIF-1 signaling pathway; map04152 AMPK signaling pathway; map04911 Insulin secretion; map04922 Glucagon signaling pathway; map04930 Type II diabetes mellitus; map04931 Insulin resistance; map05230 Central carbon metabolism in cancer
C00295 Orotic acid HMDB0000226 967 16742 C00295 318 C1=C(NC(=O)NC1=O)C(=O)O Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives map00240 Pyrimidine metabolism; map01100 Metabolic pathways
C00158 Citric acid HMDB0000094 311 30769 C00158 124 C(C(=O)O)C(CC(=O)O)(C(=O)O)O Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives map00020 Citrate cycle (TCA cycle); map00250 Alanine, aspartate and glutamate metabolism; map00630 Glyoxylate and dicarboxylate metabolism; map00720 Carbon fixation pathways in prokaryotes; map01060 Biosynthesis of plant secondary metabolites; map01061 Biosynthesis of phenylpropanoids; map01062 Biosynthesis of terpenoids and steroids; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01066 Biosynthesis of alkaloids derived from terpenoid and polyketide; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map02020 Two-component system; map04742 Taste transduction; map04922 Glucagon signaling pathway; map05230 Central carbon metabolism in cancer
C00055 Cytidine monophosphate HMDB0000095 6131 17361 C00055 5143 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine ribonucleotides map00240 Pyrimidine metabolism; map01100 Metabolic pathways
HMDB0033489 Isoaurasperone A HMDB0033489 NA NA NA COC1=CC2=C(C(O)=C1)C(OC)=C1C(=O)C=C(C)OC1=C2C1=C(OC)C=C2C=C3OC(C)=CC(=O)C3=C(OC)C2=C1O Organoheterocyclic compounds Naphthopyrans Naphthopyranones NA
HMDB0014118 Trifluoroacetic acid HMDB0014118 NA 45892 NA OC(=O)C(F)(F)F Organic acids and derivatives Carboxylic acids and derivatives Alpha-halocarboxylic acids and derivatives NA
HMDB0033585 Acesulfame HMDB0033585 36573 83501 NA CC1=CC(=O)NS(=O)(=O)O1 Organic acids and derivatives Organic sulfuric acids and derivatives null NA
HMDB0008029 PC(16:1(9Z)/P-18:1(11Z)) HMDB0008029 53478697 NA C00157 NA CCCCCC/C=C\CCCCCCCC/C=C\OC(COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C null null null NA
HMDB0034831 Orthoperiodic acid HMDB0034831 25289 29150 NA OI(=O)(O)(O)(O)O Homogeneous non-metal compounds Other non-metal halides null NA
C08039 Hexachlorophene HMDB0014894 3598 108167 C08039 NA C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl Benzenoids Benzene and substituted derivatives Diphenylmethanes NULL
C00209 Oxalic acid HMDB0002329 971 16995 C00209 113 C(=O)(C(=O)O)O Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives map00230 Purine metabolism; map00625 Chloroalkane and chloroalkene degradation; map00630 Glyoxylate and dicarboxylate metabolism; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments
HMDB0034694 2'',4'',6''-Triacetylglycitin HMDB0034694 NA NA NA COC1=C(OC2OC(COC(C)=O)C(OC(C)=O)C(O)C2OC(C)=O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1 Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides NA
C08995 Aurasperone D HMDB0033488 155008 NA C08995 NA CC1=CC(=O)C2=C(O1)C=C3C=C(C(=C(C3=C2O)OC)C4=C5C(=C(C6=C(C=C(C=C64)OC)O)O)C(=O)C=C(O5)C)OC Organoheterocyclic compounds Naphthopyrans Naphthopyranones NULL
C00182 Glycogen HMDB0000757 439177 28087 C00182 160 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map04922 Glucagon signaling pathway
C08537 Amaranthin HMDB0029406 4480711 2621 C08537 NA C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C(=O)[O-])C(=O)O)C(=O)O null null null map00965 Betalain biosynthesis
HMDB0028772 Cysteinyl-Cysteine HMDB0028772 NA NA NA NC(CS)C(=O)NC(CS)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C00389 Quercetin HMDB0005794 5280343 16243 C00389 NA C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O Phenylpropanoids and polyketides Flavonoids Flavones map00941 Flavonoid biosynthesis; map00944 Flavone and flavonol biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04152 AMPK signaling pathway
C00475 Cytidine HMDB0000089 6175 17562 C00475 3376 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O Nucleosides, nucleotides, and analogues Pyrimidine nucleosides null map00240 Pyrimidine metabolism; map01100 Metabolic pathways
C01817 DL-Homocystine HMDB0000575 10010 17485 C01817 5557 C(CSSCCC(C(=O)O)N)C(C(=O)O)N null null null map00270 Cysteine and methionine metabolism
C00365 dUMP HMDB0001409 65063 17622 C00365 6225 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine deoxyribonucleotides map00240 Pyrimidine metabolism; map01100 Metabolic pathways; map01523 Antifolate resistance
C00242 Guanine HMDB0000132 764 16235 C00242 315 C1=NC2=C(N1)C(=O)N=C(N2)N Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives map00230 Purine metabolism; map01100 Metabolic pathways
HMDB0012285 Ribose-1-arsenate HMDB0012285 25201247 NA NA C(C1C(C(C(O1)O[As](=O)(O)O)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
C00104 IDP HMDB0003335 644173 17808 C00104 6892 C1=NC(=O)C2=C(N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O null null null map00230 Purine metabolism
C01045 N-Formyl-L-glutamic acid HMDB0003470 439376 48309 C01045 6939 C(CC(=O)O)[C@@H](C(=O)O)NC=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00340 Histidine metabolism; map01100 Metabolic pathways
C04489 5-Methyltetrahydropteroyltri-L-glutamate HMDB0012177 16722111 17614 C04489 NA CN1[C@H](CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives NULL
C07295 Methylarsonite HMDB0012259 161491 17826 C07295 NA C[As](O)O Organometallic compounds Organometalloid compounds Organoarsenic compounds NULL
C01005 Phosphoserine HMDB0000272 68841 15811 C01005 5270 C([C@@H](C(=O)O)N)OP(=O)(O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00260 Glycine, serine and threonine metabolism; map00270 Cysteine and methionine metabolism; map00680 Methane metabolism; map00970 Aminoacyl-tRNA biosynthesis; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism; map01230 Biosynthesis of amino acids
C07041 Hydrochlorothiazide HMDB0001928 3639 102045 C07041 3169 C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl Organoheterocyclic compounds Thiadiazines Benzothiadiazines NULL
C05379 Oxalosuccinic acid HMDB0003974 972 7815 C05379 6996 C(C(C(=O)C(=O)O)C(=O)O)C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives map00020 Citrate cycle (TCA cycle); map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism
HMDB0032886 Orange I HMDB0032886 NA NA NA OC1=CC=C(\N=N/C2=CC=C(C=C2)S(O)(=O)=O)C2=CC=CC=C12 Benzenoids Naphthalenes Naphthols and derivatives NA
C01546 2-Furoic acid HMDB0000617 6919 30845 C01546 2266 C1=COC(=C1)C(=O)O Organoheterocyclic compounds Furans Furoic acid and derivatives map00365 Furfural degradation; map01120 Microbial metabolism in diverse environments
C00417 cis-Aconitic acid HMDB0000072 643757 32805 C00417 5130 C(/C(=C/C(=O)O)/C(=O)O)C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives map00020 Citrate cycle (TCA cycle); map00630 Glyoxylate and dicarboxylate metabolism; map00660 C5-Branched dibasic acid metabolism; map00720 Carbon fixation pathways in prokaryotes; map01060 Biosynthesis of plant secondary metabolites; map01061 Biosynthesis of phenylpropanoids; map01062 Biosynthesis of terpenoids and steroids; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01066 Biosynthesis of alkaloids derived from terpenoid and polyketide; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism
C00026 Oxoglutaric acid HMDB0000208 51 30915 C00026 5218 C(CC(=O)O)C(=O)C(=O)O Organic acids and derivatives Keto acids and derivatives Gamma-keto acids and derivatives map00020 Citrate cycle (TCA cycle); map00040 Pentose and glucuronate interconversions; map00053 Ascorbate and aldarate metabolism; map00220 Arginine biosynthesis; map00250 Alanine, aspartate and glutamate metabolism; map00300 Lysine biosynthesis; map00310 Lysine degradation; map00340 Histidine metabolism; map00365 Furfural degradation; map00430 Taurine and hypotaurine metabolism; map00471 D-Glutamine and D-glutamate metabolism; map00630 Glyoxylate and dicarboxylate metabolism; map00650 Butanoate metabolism; map00660 C5-Branched dibasic acid metabolism; map00720 Carbon fixation pathways in prokaryotes; map01060 Biosynthesis of plant secondary metabolites; map01061 Biosynthesis of phenylpropanoids; map01062 Biosynthesis of terpenoids and steroids; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01066 Biosynthesis of alkaloids derived from terpenoid and polyketide; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map04066 HIF-1 signaling pathway; map04727 GABAergic synapse; map04922 Glucagon signaling pathway; map04964 Proximal tubule bicarbonate reclamation; map04976 Bile secretion; map05230 Central carbon metabolism in cancer
HMDB0029202 hesperetin 3'-O-sulfate HMDB0029202 NA NA NA COC1=CC=C(C=C1OS(O)(=O)=O)C1CC(=O)C2=C(O1)C=C(O)C=C2O Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids NA
C00700 Xanthosine 5-triphosphate HMDB0000293 439296 10049 C00700 NA C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides map00230 Purine metabolism
C06193 Guanosine 3'-phosphate METPA0785 NA NA C06193 NA NA null null null map00230 Purine metabolism
C03722 Quinolinic acid HMDB0000232 1066 16675 C03722 330 C1=CC(=C(N=C1)C(=O)O)C(=O)O Organoheterocyclic compounds Pyridines and derivatives Pyridinecarboxylic acids and derivatives map00380 Tryptophan metabolism; map00410 beta-Alanine metabolism; map00760 Nicotinate and nicotinamide metabolism; map01060 Biosynthesis of plant secondary metabolites; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01100 Metabolic pathways
C00366 Uric acid HMDB0000289 1175 17775 C00366 88 C12=C(NC(=O)N1)NC(=O)NC2=O Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives map00230 Purine metabolism; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map04976 Bile secretion
C11821 5-Hydroxyisourate HMDB0030097 250388 18072 C11821 NA C12=NC(=O)NC1(C(=O)NC(=O)N2)O Alkaloids and derivatives null null map00230 Purine metabolism; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments
C10788 Ellagic acid HMDB0002899 5281855 4775 C10788 3430 C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O Phenylpropanoids and polyketides Tannins Hydrolyzable tannins NULL
C08075 Oxiconazole HMDB0014384 5361463 NA C08075 NA C1=CC(=C(C=C1Cl)Cl)CO/N=C(/CN2C=CN=C2)\C3=C(C=C(C=C3)Cl)Cl null null null NULL
C00117 D-Ribose 5-phosphate HMDB0001548 439167 52742 C00117 6315 C([C@@H]1[C@H]([C@H](C(O1)O)O)O)OP(=O)(O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00030 Pentose phosphate pathway; map00230 Purine metabolism; map00440 Phosphonate and phosphinate metabolism; map00710 Carbon fixation in photosynthetic organisms; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism; map01230 Biosynthesis of amino acids; map04918 Thyroid hormone synthesis
C00105 Uridine 5'-monophosphate HMDB0000288 6030 16695 C00105 NA C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine ribonucleotides map00240 Pyrimidine metabolism; map01100 Metabolic pathways
C00246 Butyric acid HMDB0000039 264 30772 C00246 107 CCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates map00650 Butanoate metabolism; map01100 Metabolic pathways; map04973 Carbohydrate digestion and absorption; map04974 Protein digestion and absorption
C05828 Methylimidazoleacetic acid HMDB0002820 75810 NA C05828 3774 CN1C=C(N=C1)CC(=O)O Organoheterocyclic compounds Azoles Imidazoles map00340 Histidine metabolism
C00299 Uridine HMDB0000296 6029 16704 C00299 90 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O Nucleosides, nucleotides, and analogues Pyrimidine nucleosides null map00240 Pyrimidine metabolism; map01100 Metabolic pathways
HMDB0028743 Asparaginyl-Tyrosine HMDB0028743 NA NA NA NC(CC(N)=O)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C07207 Zalcitabine HMDB0015078 24066 10101 C07207 NA C1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)N Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine 2',3'-dideoxyribonucleosides map04976 Bile secretion
C04015 N-Acetyl-4-O-acetylneuraminic acid HMDB0000796 440197 32844 C04015 5761 CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1C(C(CO)O)O)(C(=O)O)O)OC(=O)C null null null NULL
C00042 Succinic acid HMDB0000254 1110 15741 C00042 114 C(CC(=O)O)C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives map00020 Citrate cycle (TCA cycle); map00190 Oxidative phosphorylation; map00250 Alanine, aspartate and glutamate metabolism; map00310 Lysine degradation; map00350 Tyrosine metabolism; map00360 Phenylalanine metabolism; map00361 Chlorocyclohexane and chlorobenzene degradation; map00620 Pyruvate metabolism; map00630 Glyoxylate and dicarboxylate metabolism; map00640 Propanoate metabolism; map00650 Butanoate metabolism; map00720 Carbon fixation pathways in prokaryotes; map00760 Nicotinate and nicotinamide metabolism; map00920 Sulfur metabolism; map01060 Biosynthesis of plant secondary metabolites; map01061 Biosynthesis of phenylpropanoids; map01062 Biosynthesis of terpenoids and steroids; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01066 Biosynthesis of alkaloids derived from terpenoid and polyketide; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism; map01220 Degradation of aromatic compounds; map02020 Two-component system; map04024 cAMP signaling pathway; map04727 GABAergic synapse; map04922 Glucagon signaling pathway; map05230 Central carbon metabolism in cancer
C07648 Thioguanine HMDB0014496 2723601 136864 C07648 NA C1=NC2=C(N1)C(=S)N=C(N2)N Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives map00983 Drug metabolism - other enzymes
HMDB0028805 Glutaminylproline HMDB0028805 11736661 NA NA C1C[C@H](N(C1)C(=O)[C@H](CCC(=O)N)N)C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0015551 Erythrityl Tetranitrate HMDB0015551 5284553 60072 NA C([C@H]([C@H](CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-] Organic oxygen compounds Organic oxoanionic compounds Organic nitrates NA
HMDB0028912 Isoleucyl-Lysine HMDB0028912 NA NA NA CCC(C)C(N)C(=O)NC(CCCCN)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C01936 Maltohexaose HMDB0012253 5288409 61953 C01936 NA C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O)CO)CO)CO)CO)CO)O)O)O)O null null null NULL
HMDB0029807 [Nitrilotris(methylene)]trisphosphonic acid HMDB0029807 16698 527966 NA C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O Organic acids and derivatives Organic phosphonic acids and derivatives Organic phosphonic acids NA
C10054 1,5-Dihydroxyxanthone HMDB0030723 5480299 411468 C10054 NA C1=CC2=C(C(=C1)O)OC3=C(C2=O)C(=CC=C3)O null null null NULL
C00109 2-Ketobutyric acid HMDB0000005 58 30831 C00109 NA CCC(=O)C(=O)O Organic acids and derivatives Keto acids and derivatives Short-chain keto acids and derivatives map00260 Glycine, serine and threonine metabolism; map00270 Cysteine and methionine metabolism; map00290 Valine, leucine and isoleucine biosynthesis; map00640 Propanoate metabolism; map00660 C5-Branched dibasic acid metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids
C06606 Paraoxon HMDB0013035 9395 27827 C06606 NA CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-] Benzenoids Benzene and substituted derivatives Nitrobenzenes map00627 Aminobenzoate degradation; map01120 Microbial metabolism in diverse environments
C05476 Tetrahydrocorticosterone HMDB0000268 9863245 NA C05476 5267 C[C@]12CC[C@H](C[C@H]1CCC3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O)O null null null map00140 Steroid hormone biosynthesis
C03425 Ethyl oleate HMDB0034451 5364430 NA C03425 NA CCCCCCCC/C=C/CCCCCCCC(=O)OCC null null null NULL
C14153 Alpha-Tocotrienol HMDB0006327 5282347 33270 C14153 NA CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)O Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map01110 Biosynthesis of secondary metabolites
HMDB0029782 6-Epi-7-isocucurbic acid glucoside HMDB0029782 NA NA NA CC\C=C\CC1C(CC(O)=O)CCC1OC1OC(CO)C(O)C(O)C1O Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides NA
HMDB0014334 Bortezomib HMDB0014334 387447 52717 NA B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0029772 Corchoionol C 9-glucoside HMDB0029772 NA NA NA CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides NA
HMDB0014323 Valsartan HMDB0014323 60846 9927 NA CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C08166 Toremifene HMDB0014679 3005573 9635 C08166 NA CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=CC=C3 Phenylpropanoids and polyketides Stilbenes null NULL
HMDB0035462 Myricetin 3-(6-acetylgalactoside) HMDB0035462 NA NA NA CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides NA
C07706 Perindopril HMDB0014928 107807 8024 C07706 NA CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NULL
HMDB0008865 PE(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)) HMDB0008865 52924142 NA C00350 NA CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0029810 Phytosulfokine b HMDB0029810 NA NA NA CCC(C)C(\N=C(/O)C(N)CC1=CC=C(OS(O)(=O)=O)C=C1)C(\O)=N\C(CC1=CC=C(OS(O)(=O)=O)C=C1)C(\O)=N\C(C(C)O)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C14154 epsilon-Tocopherol HMDB0030554 9844470 351876 C14154 NA CC1=CC(=C(C2=C1OC(CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)O null null null map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map01110 Biosynthesis of secondary metabolites
C08316 Erucic acid HMDB0002068 5281116 28792 C08316 6470 CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates map01040 Biosynthesis of unsaturated fatty acids
HMDB0012105 SM(d18:1/23:0) HMDB0012105 46891684 17636 C00550 NA CCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids NA
HMDB0004976 Glucosylceramide (d18:1/26:1(17Z)) HMDB0004976 20057358 NA C01190 7229 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0009476 PE(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)) HMDB0009476 53479838 NA C00350 NA CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0004890 Ganglioside GA2 (d18:1/16:0) HMDB0004890 22833615 NA C06135 7147 CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0007896 PC(14:0/P-18:0) HMDB0007896 53478617 NA C00157 NA CCCCCCCCCCCCCCCC/C=C\OC(COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0013448 PC(o-22:0/20:4(8Z,11Z,14Z,17Z)) HMDB0013448 53481751 NA NA CCCCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0004833 Galabiosylceramide (d18:1/16:0) HMDB0004833 20057274 NA C06126 7092 CCCCCCCCCCCCCCCC(=O)NC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)C(/C=C\CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0030902 Notoginsenoside G HMDB0030902 NA NA NA CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3=CC(O)C21C Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
HMDB0032843 AS 1-5 HMDB0032843 NA NA NA CCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0010595 PG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) HMDB0010595 52927164 NA NA CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols NA
HMDB0004832 Galabiosylceramide (d18:1/9Z-18:1) HMDB0004832 20057273 NA C06126 7091 CCCCCCCCCCCCC/C=C\C(C(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)NC(=O)CCCCCCC/C=C\CCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0007355 DG(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)/0:0) HMDB0007355 53478184 NA NA CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0008257 PC(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)) HMDB0008257 53478869 NA C00157 NA CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC[N+](C)(C)C null null null NA
HMDB0007878 PC(14:0/20:0) HMDB0007878 24778633 NA C00157 NA CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0009641 PE(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)) HMDB0009641 53479937 NA C00350 NA CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0035555 10,12-Pentacosanedione HMDB0035555 NA NA NA CCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC Organic oxygen compounds Organooxygen compounds Carbonyl compounds NA
HMDB0004844 Ganglioside GM3 (d18:1/16:0) HMDB0004844 20057285 NA C04730 7103 CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0034841 Faradiol myristate HMDB0034841 NA NA NA CCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4C(C)C(C)=CCC4(C)C(O)CC32C)C1(C)C Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
HMDB0007995 PC(16:0/P-18:0) HMDB0007995 53478673 NA C00157 NA CCCCCCCCCCCCCCCC/C=C\OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0007891 PC(14:0/22:5(7Z,10Z,13Z,16Z,19Z)) HMDB0007891 53478613 NA C00157 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC null null null NA
HMDB0004834 Galabiosylceramide (d18:1/18:0) HMDB0004834 20057275 NA C06126 7093 CCCCCCCCCCCCCCCCCC(=O)NC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)C(/C=C\CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0008621 PC(22:2(13Z,16Z)/P-18:1(11Z)) HMDB0008621 53479247 NA C00157 NA CCCCCC/C=C\CCCCCCCC/C=C\OC(COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0008923 PE(16:0/16:0) HMDB0008923 445468 NA C00350 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0008892 PE(15:0/18:0) HMDB0008892 52924930 NA C00350 NA CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0010657 PG(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) HMDB0010657 53480635 NA NA CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols NA
HMDB0013409 PC(o-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0013409 16759366 1077065 NA CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0008924 PE(16:0/16:1(9Z)) HMDB0008924 52924925 NA C00350 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0009038 PE(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) HMDB0009038 53479637 NA C00350 NA CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
C10385 Plastoquinone 9 HMDB0030130 NA NA C10385 NA CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC1=CC(=O)C(C)=C(C)C1=O null null null NULL
HMDB0009147 PE(18:3(6Z,9Z,12Z)/P-16:0) HMDB0009147 53479681 NA C00350 NA CCCCCCCCCCCCCC/C=C\O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0008834 PE(14:0/20:1(11Z)) HMDB0008834 52924120 NA C00350 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0007943 PC(15:0/18:4(6Z,9Z,12Z,15Z)) HMDB0007943 52922318 NA C00157 NA CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0008326 PC(20:1(11Z)/P-18:1(11Z)) HMDB0008326 53478915 NA C00157 NA CCCCCCCC/C=C\CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0008835 PE(14:0/20:2(11Z,14Z)) HMDB0008835 52924121 NA C00350 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0007529 DG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/0:0) HMDB0007529 53478307 NA NA CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerolipids Diradylglycerols NA
HMDB0008845 PE(14:0/22:5(4Z,7Z,10Z,13Z,16Z)) HMDB0008845 53479555 NA C00350 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0008090 PC(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0008090 24778901 NA C00157 NA CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC null null null NA
HMDB0007963 PC(15:0/P-18:1(11Z)) HMDB0007963 53478665 NA C00157 NA CCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0007886 PC(14:0/22:0) HMDB0007886 24778638 NA C00157 NA CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0008852 PE(14:0/P-18:1(11Z)) HMDB0008852 53479561 NA C00350 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0007940 PC(15:0/18:2(9Z,12Z)) HMDB0007940 24778664 NA C00157 NA CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC null null null NA
HMDB0012315 3-O-Sulfogalactosylceramide (d18:1/20:0) HMDB0012315 24779583 NA C06125 NA CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C(C([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
C06429 Docosahexaenoic acid HMDB0002183 445580 28125 C06429 3457 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates map01040 Biosynthesis of unsaturated fatty acids
HMDB0007941 PC(15:0/18:3(6Z,9Z,12Z)) HMDB0007941 52922314 NA C00157 NA CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0007989 PC(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) HMDB0007989 24778735 NA C00157 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0007921 PC(14:1(9Z)/22:2(13Z,16Z)) HMDB0007921 52922294 NA C00157 NA CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)([O-])OCC[N+](C)(C)C null null null NA
HMDB0009776 PE(24:1(15Z)/P-18:1(11Z)) HMDB0009776 53480048 NA C00350 NA CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0009304 PE(20:2(11Z,14Z)/22:1(13Z)) HMDB0009304 53479733 NA C00350 NA CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0034509 Erythrodiol 3-palmitate HMDB0034509 NA NA NA CCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(CO)CCC32C)C1(C)C Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
HMDB0009413 PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z)) HMDB0009413 53479797 NA C00350 NA CCCCCC/C=C\CCCCCCCC/C=C\O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0008026 PC(16:1(9Z)/24:1(15Z)) HMDB0008026 53478691 NA C00157 NA CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0004835 Galabiosylceramide (d18:1/20:0) HMDB0004835 20057276 NA C06126 7094 CCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)C(/C=C\CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0003288 Selenocysteine HMDB0003288 25076 16633 C05688 3292 C([C@@H](C(=O)O)N)[SeH] Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00450 Selenocompound metabolism; map01100 Metabolic pathways
C00249 Palmitic acid HMDB0000220 985 15756 C00249 187 CCCCCCCCCCCCCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates map00061 Fatty acid biosynthesis; map00062 Fatty acid elongation; map00071 Fatty acid degradation; map00073 Cutin, suberine and wax biosynthesis; map01040 Biosynthesis of unsaturated fatty acids; map01060 Biosynthesis of plant secondary metabolites; map01100 Metabolic pathways; map01212 Fatty acid metabolism
C21484 LysoPE(18:0/0:0) HMDB0011130 9547068 75036 C21484 NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines map04216 Ferroptosis
C13877 PE(16:0/18:1(9Z)) HMDB0008927 5283496 NA C13877 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NULL
HMDB0007935 PC(15:0/16:0) HMDB0007935 24778655 NA C00157 NA CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0009779 PI(16:0/16:1(9Z)) HMDB0009779 NA NA C00626 NA [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC\C=C/CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols NA
HMDB0000564 PC(16:0/16:0) HMDB0000564 452110 NA C00157 5548 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0008687 PC(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(11Z)) HMDB0008687 53479337 NA C00157 NA CCCCCC/C=C\CCCCCCCC/C=C\OC(COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
C07548 Atracurium HMDB0014870 47319 2914 C07548 NA C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C Organoheterocyclic compounds Isoquinolines and derivatives Benzylisoquinolines map07221 Nicotinic cholinergic receptor antagonists
HMDB0015560 Thiothixene HMDB0015560 941651 309829 NA CN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C Organoheterocyclic compounds Benzothiopyrans 1-benzothiopyrans NA
HMDB0008724 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0) HMDB0008724 52923679 NA C00157 NA CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0008258 PC(18:4(6Z,9Z,12Z,15Z)/P-16:0) HMDB0008258 53478871 NA C00157 NA CCCCCCCCCCCCCC/C=C\OC(COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0007938 PC(15:0/18:1(11Z)) HMDB0007938 24778662 NA C00157 NA CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0010603 PG(18:0/18:1(11Z)) HMDB0010603 53480610 NA NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols NA
HMDB0008588 PC(22:1(13Z)/P-18:1(11Z)) HMDB0008588 53479223 NA C00157 NA CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0008751 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-16:0) HMDB0008751 53479423 NA C00157 NA CCCCCCCCCCCCCC/C=C\OC(COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0008489 PC(20:4(8Z,11Z,14Z,17Z)/P-18:0) HMDB0008489 53479117 NA C00157 NA CCCCCCCCCCCCCCCC/C=C\OC(COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0008057 PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0008057 24778876 NA C00157 NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0012428 PS(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0012428 52925729 NA NA CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
HMDB0004840 Galabiosylceramide (d18:1/24:0) HMDB0004840 20057281 NA C06126 7099 CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)C(/C=C\CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0007930 PC(14:1(9Z)/P-18:1(11Z)) HMDB0007930 53478643 NA C00157 NA CCCCCC/C=C\CCCCCCCC/C=C\OC(COC(=O)CCCCCCC/C=C\CCCC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0008944 PE(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) HMDB0008944 53479589 NA C00350 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0009278 PE(20:1(11Z)/24:1(15Z)) HMDB0009278 53479725 NA C00350 NA CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0012361 PS(16:0/20:4(5Z,8Z,11Z,14Z)) HMDB0012361 24779544 NA NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
HMDB0008095 PC(18:1(11Z)/P-18:1(11Z)) HMDB0008095 53478761 NA C00157 NA CCCCCC/C=C\CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0009408 PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0009408 52924662 NA C00350 NA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0008748 PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0008748 24779134 NA C00157 NA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0009609 PE(22:4(7Z,10Z,13Z,16Z)/P-16:0) HMDB0009609 53479905 NA C00350 NA CCCCCCCCCCCCCC/C=C\O[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0009710 PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) HMDB0009710 53479985 NA C00350 NA CCCCCC/C=C\CCCCCCCC/C=C\O[C@H](COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0010705 CerP(d18:1/24:1(15Z)) HMDB0010705 5283586 134454 NA CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids NA
HMDB0008900 PE(15:0/20:1(11Z)) HMDB0008900 52924167 NA C00350 NA CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0000593 PC(18:1(9Z)/18:1(9Z)) HMDB0000593 6437081 NA C00157 5572 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0007946 PC(15:0/20:2(11Z,14Z)) HMDB0007946 52922326 NA C00157 NA CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0012314 3-O-Sulfogalactosylceramide (d18:1/18:0) HMDB0012314 5771775 NA C06125 NA CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C(C([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0007993 PC(16:0/24:1(15Z)) HMDB0007993 24778745 NA C00157 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC null null null NA
HMDB0013469 SM(d18:0/24:1(15Z)(OH)) HMDB0013469 53481791 NA C00550 NA CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CC(CCCCCCCCCCC/C=C\CCCCCCCC)O)O Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids NA
HMDB0005779 PE(O-18:1(1Z)/20:4(5Z,8Z,11Z,14Z)) HMDB0005779 9547058 NA C00350 6548 CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0012394 PS(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) HMDB0012394 52925988 NA NA CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
HMDB0009311 PE(20:2(11Z,14Z)/24:1(15Z)) HMDB0009311 53479737 NA C00350 NA CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0007945 PC(15:0/20:1(11Z)) HMDB0007945 52922324 NA C00157 NA CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0000674 PA(16:0/16:0) HMDB0000674 446066 NA C00416 5644 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates NA
HMDB0008092 PC(18:1(11Z)/24:1(15Z)) HMDB0008092 53478755 NA C00157 NA CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C null null null NA
HMDB0007962 PC(15:0/P-18:0) HMDB0007962 53478663 NA C00157 NA CCCCCCCCCCCCCCCC/C=C\OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0008359 PC(20:2(11Z,14Z)/P-18:1(11Z)) HMDB0008359 53478939 NA C00157 NA CCCCCC/C=C\CCCCCCCC/C=C\OC(COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0012406 PS(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0012406 52926085 NA NA CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
HMDB0008055 PC(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) HMDB0008055 24778871 NA C00157 NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC null null null NA
HMDB0004973 Glucosylceramide (d18:1/20:0) HMDB0004973 20057356 NA C01190 7226 CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0004836 Galabiosylceramide (d18:1/22:0) HMDB0004836 20057277 NA C06126 7095 CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)C(/C=C\CCCCCCCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0011207 PC(P-16:0/16:1(9Z)) HMDB0011207 52923882 NA NA CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0008248 PC(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) HMDB0008248 52922927 NA C00157 NA CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0008293 PC(20:0/P-18:1(11Z)) HMDB0008293 53478891 NA C00157 NA CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0031185 1,2,4,5-Tetrathiane HMDB0031185 520409 NA NA C1SSCSS1 Organoheterocyclic compounds Tetrathianes null NA
HMDB0009248 PE(20:0/P-18:1(11Z)) HMDB0009248 53479716 NA C00350 NA CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0008843 PE(14:0/22:2(13Z,16Z)) HMDB0008843 52924125 NA C00350 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0007956 PC(15:0/22:5(4Z,7Z,10Z,13Z,16Z)) HMDB0007956 53478653 NA C00157 NA CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0009097 PE(18:2(9Z,12Z)/20:0) HMDB0009097 52924370 NA C00350 NA CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0008054 PC(18:0/22:4(7Z,10Z,13Z,16Z)) HMDB0008054 24778868 NA C00157 NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0011702 TG(15:0/16:0/20:4(5Z,8Z,11Z,14Z)) HMDB0011702 53481034 NA NA CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerolipids Triradylcglycerols NA
HMDB0009545 PE(22:1(13Z)/P-18:1(11Z)) HMDB0009545 53479883 NA C00350 NA CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0010580 PG(16:0/20:4(5Z,8Z,11Z,14Z)) HMDB0010580 24779550 NA NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols NA
HMDB0009279 PE(20:1(11Z)/P-16:0) HMDB0009279 53479726 NA C00350 NA CCCCCCCCCCCCCC/C=C\O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0012417 PS(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0012417 52925534 NA NA CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
HMDB0010165 PS(18:0/20:4(8Z,11Z,14Z,17Z)) HMDB0010165 53480354 NA C02737 NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
HMDB0009573 PE(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0009573 52924802 NA C00350 NA CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0009016 PE(18:0/P-18:0) HMDB0009016 53479615 NA C00350 NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCCCCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0009281 PE(20:1(11Z)/P-18:1(11Z)) HMDB0009281 53479728 NA C00350 NA CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0004838 Galabiosylceramide (d18:1/26:1(17Z)) HMDB0004838 20057279 NA C06126 7097 CCCCCCCCCCCCC/C=C\C(C(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)NC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0013451 PC(o-22:1(13Z)/20:4(8Z,11Z,14Z,17Z)) HMDB0013451 53481757 NA NA CCCCCCCC/C=C\CCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0012107 SM(d18:1/24:1(15Z)) HMDB0012107 44260126 17636 C00550 NA CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Phosphosphingolipids NA
HMDB0009544 PE(22:1(13Z)/P-18:0) HMDB0009544 53479882 NA C00350 NA CCCCCCCCCCCCCCCC/C=C\O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0005391 TG(16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) HMDB0005391 9544362 NA C00422 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerolipids Triradylcglycerols NA
C00430 5-Aminolevulinic acid HMDB0001149 137 17549 C00430 6037 C(CC(=O)O)C(=O)CN Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00260 Glycine, serine and threonine metabolism; map00860 Porphyrin and chlorophyll metabolism; map01060 Biosynthesis of plant secondary metabolites; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map02010 ABC transporters
HMDB0028810 Glutaminylvaline HMDB0028810 57262456 NA NA CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)N)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0000709 L-Cysteinylglycine disulfide HMDB0000709 22833544 89930 5677 C([C@@H](C(=O)O)N)SSCC(C(=O)NCC(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C11736 Floxuridine HMDB0014467 5790 60761 C11736 NA C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)O Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine 2'-deoxyribonucleosides map00983 Drug metabolism - other enzymes
C00128 Cytidine monophosphate N-acetylneuraminic acid HMDB0001176 448209 16556 C00128 6057 CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine nucleotide sugars map00520 Amino sugar and nucleotide sugar metabolism; map01100 Metabolic pathways
C03451 S-Lactoylglutathione HMDB0001066 440018 15694 C03451 5979 C[C@H](C(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00620 Pyruvate metabolism
HMDB0028712 Arginyl-Isoleucine HMDB0028712 NA NA NA CCC(C)C(NC(=O)C(N)CCCNC(N)=N)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C00884 Homocarnosine HMDB0000745 10243361 491179 C00884 270 C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCCN Organic acids and derivatives Peptidomimetics Hybrid peptides map00330 Arginine and proline metabolism
C00207 Acetone HMDB0001659 180 15347 C00207 3745 CC(=O)C Organic oxygen compounds Organooxygen compounds Carbonyl compounds map00072 Synthesis and degradation of ketone bodies; map00640 Propanoate metabolism; map01100 Metabolic pathways
C00178 Thymine HMDB0000262 1135 17821 C00178 290 CC1=CNC(=O)NC1=O Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives map00240 Pyrimidine metabolism; map01100 Metabolic pathways
C00127 Oxidized glutathione HMDB0003337 975 17858 C00127 6893 C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N null null null map00480 Glutathione metabolism; map04216 Ferroptosis; map04918 Thyroid hormone synthesis
C08567 Prebetanin HMDB0029411 4481056 NA C08567 NA C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)COS(=O)(=O)[O-])O)O)O)C(=O)O)C(=O)O)C(=O)O null null null NULL
C04148 Alpha-N-Phenylacetyl-L-glutamine HMDB0006344 92258 17884 C04148 NA C1=CC=C(C=C1)CC(=O)N[C@@H](CCC(=O)N)C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00360 Phenylalanine metabolism
C06843 Benazepril HMDB0014682 5362124 3011 C06843 NA CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NULL
HMDB0002067 O-b-D-Gal-(1->3)-O-[O-b-D-Gal-(1->4)-2-(acetylamino)-2-deoxy-b-D-Glc-(1->6)]-2-(acetylamino)-2-deoxy- D-Galactose HMDB0002067 22833581 NA NA CC(=O)N[C@@H]1[C@H](C([C@H](O[C@H]1OC[C@H]([C@@H]([C@@H](C(C=O)NC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)CO)O[C@H]3[C@@H](C(C([C@H](O3)CO)O)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
C08934 Camellidin II HMDB0034925 NA NA C08934 NA CC1(C)CCC2(O)C(C1)C1=CCC3C4(C)CCC(OC5OC(C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(C)C4CCC3(C)C1(C)CC2=O null null null NULL
C03492 D-4'-Phosphopantothenate HMDB0001016 131 15905 C03492 3427 CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)O)O null null null map00410 beta-Alanine metabolism; map00770 Pantothenate and CoA biosynthesis; map01100 Metabolic pathways
C02355 Uridine 2',3'-cyclic phosphate HMDB0011640 439715 28637 C02355 NA C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)OP(=O)(O3)O Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Cyclic pyrimidine nucleotides map00240 Pyrimidine metabolism
C05175 6,7,12b,13e-Tetrahydro-4H-bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizine METPA0563 NA NA C05175 NA NA null null null map00950 Isoquinoline alkaloid biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
HMDB0033709 Desglucocoroloside HMDB0033709 15559187 NA NA CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)O Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones NA
C00020 Adenosine monophosphate HMDB0000045 6083 16027 C00020 5111 C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides map00230 Purine metabolism; map00908 Zeatin biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01523 Antifolate resistance; map04022 cGMP-PKG signaling pathway; map04024 cAMP signaling pathway; map04068 FoxO signaling pathway; map04150 mTOR signaling pathway; map04151 PI3K-Akt signaling pathway; map04152 AMPK signaling pathway; map04211 Longevity regulating pathway; map04740 Olfactory transduction; map04742 Taste transduction; map04923 Regulation of lipolysis in adipocytes; map04924 Renin secretion; map04925 Aldosterone synthesis and secretion; map04927 Cortisol synthesis and secretion; map04928 Parathyroid hormone synthesis, secretion and action; map04934 Cushing syndrome; map05012 Parkinson disease; map05032 Morphine addiction
C09286 Absinthin HMDB0035742 348165 2366 C09286 NA CC1C2CCC(C3C4C5C=C(C6(C4C(=C3C2OC1=O)C)C5C(CCC7C6OC(=O)C7C)(C)O)C)(C)O null null null NULL
HMDB0011496 LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0011496 53480945 72749 NA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](CO)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0035344 (3b,16a,20R)-3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one 3-[rhamnosyl-(1->4)-[glucosyl-(1->6)]-glucoside] HMDB0035344 NA NA NA CC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3CCC4C(=CCC5C6(C)CC(O)C(C(C)(O)C(O)CCC(C)(C)O)C6(C)CC(=O)C45C)C3(C)C)C(O)C2O)C(O)C(O)C1O Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
HMDB0033350 Brassinin HMDB0033350 3035211 38119 NA CSC(=S)NCC1=CNC2=CC=CC=C21 Organoheterocyclic compounds Indoles and derivatives Indoles NA
HMDB0012993 Leukotriene C5 HMDB0012993 53481570 NA NA CC/C=C\C/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C07129 Terbutaline HMDB0015009 5403 683322 C07129 NA CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O Benzenoids Phenols Benzenediols NULL
C00489 Glutaric acid HMDB0000661 743 17859 C00489 3254 C(CC(=O)O)CC(=O)O Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives map00071 Fatty acid degradation; map00310 Lysine degradation; map01120 Microbial metabolism in diverse environments
C00147 Adenine HMDB0000034 190 16708 C00147 85 C1=NC2=C(N1)C(=NC=N2)N Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives map00230 Purine metabolism; map00908 Zeatin biosynthesis; map01100 Metabolic pathways
HMDB0030542 Neohesperidin dihydrochalcone HMDB0030542 4453 NA NA CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC(=C(C=C4)OC)O)O)CO)O)O)O)O)O Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides NA
HMDB0030465 Mocimycin HMDB0030465 NA NA NA CCC(C(=O)NC\C=C/C=C(\C)C(OC)C(C)C1OC(\C=C/C=C/C=C(/C)C(=O)C2=C(O)C=CNC2=O)C(O)C1O)C1(O)OC(\C=C\C=C/C)C(C)(C)C(O)C1O Organooxygen compounds Carbohydrates and carbohydrate conjugates Glycosyl compounds NA
C00262 Hypoxanthine HMDB0000157 790 17368 C00262 83 C1=NC2=C(N1)C(=O)N=CN2 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives map00230 Purine metabolism; map01100 Metabolic pathways
C00387 Guanosine HMDB0000133 6802 16750 C00387 87 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=O)N Nucleosides, nucleotides, and analogues Purine nucleosides null map00230 Purine metabolism; map01100 Metabolic pathways
C08727 Petunidin HMDB0003173 73386 NA C08727 3447 COC1=CC(=CC(=C1O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-] null null null NULL
HMDB0031987 Sulforhodamine B HMDB0031987 65191 52101 NA CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)[O-] Organoheterocyclic compounds Benzopyrans 1-benzopyrans NA
HMDB0010395 LysoPC(20:4(5Z,8Z,11Z,14Z)) HMDB0010395 24779476 NA C04230 NA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O null null null NA
HMDB0002581 Taurocholic acid 3-sulfate HMDB0002581 53477754 NA 6717 C[C@H](CCC(=O)NCCS(=O)(=O)O)C1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)O)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives NA
HMDB0001004 Oxoamide HMDB0001004 436 NA 5934 CNC(=O)CCC(=O)C1=CN=CC=C1 Organic oxygen compounds Organooxygen compounds Carbonyl compounds NA
C21730 Epsilon-(gamma-Glutamyl)-lysine HMDB0003869 7015684 88494 C21730 NA C(CCNC(=O)CC[C@@H](C(=O)[O-])[NH3+])C[C@@H](C(=O)[O-])[NH3+] Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NULL
HMDB0028990 Phenylalanyl-Asparagine HMDB0028990 NA NA NA NC(CC1=CC=CC=C1)C(=O)NC(CC(N)=O)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0029100 Tyrosyl-Asparagine HMDB0029100 NA NA NA NC(CC1=CC=C(O)C=C1)C(=O)NC(CC(N)=O)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0030158 Austalide L HMDB0030158 NA NA NA COC1=C2C(=O)OCC2=C(C)C2=C1CC1C(C)(CCC3(O)C(C)(C)C(=O)CCC13C)O2 Phenylpropanoids and polyketides Isoflavonoids Isoflavans NA
C06572 Nystatin HMDB0014784 11953884 7660 C06572 NA C[C@@H]1[C@H]([C@@H]([C@@H](C(O1)OC\2CC(C(C(CC(=O)CC(C(CCC(CC(CC(CC(=O)OC(C(C(C(/C=C/C=C/CC/C=C/C=C/C=C/C=C2)C)O)C)C)O)O)O)O)O)O)C(=O)O)O)O)N)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NULL
C01179 4-Hydroxyphenylpyruvic acid HMDB0000707 979 15999 C01179 5675 C1=CC(=CC=C1CC(=O)C(=O)O)O Benzenoids Benzene and substituted derivatives Phenylpyruvic acid derivatives map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map00261 Monobactam biosynthesis; map00350 Tyrosine metabolism; map00400 Phenylalanine, tyrosine and tryptophan biosynthesis; map00401 Novobiocin biosynthesis; map00950 Isoquinoline alkaloid biosynthesis; map01055 Biosynthesis of vancomycin group antibiotics; map01060 Biosynthesis of plant secondary metabolites; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids
C00942 Cyclic GMP HMDB0001314 24316 16356 C00942 6152 C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3NC(=NC4=O)N)O)OP(=O)(O1)O Nucleosides, nucleotides, and analogues Purine nucleotides Cyclic purine nucleotides map00230 Purine metabolism; map04022 cGMP-PKG signaling pathway; map04270 Vascular smooth muscle contraction; map04540 Gap junction; map04611 Platelet activation; map04713 Circadian entrainment; map04714 Thermogenesis; map04730 Long-term depression; map04740 Olfactory transduction; map04744 Phototransduction; map04921 Oxytocin signaling pathway; map04923 Regulation of lipolysis in adipocytes; map04924 Renin secretion; map04925 Aldosterone synthesis and secretion; map04970 Salivary secretion; map04976 Bile secretion
C07547 Tubocurarine HMDB0015330 6000 9774 C07547 NA CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC Organic oxygen compounds Organooxygen compounds Ethers map01063 Biosynthesis of alkaloids derived from shikimate pathway; map07221 Nicotinic cholinergic receptor antagonists
C04858 Apiin HMDB0030843 5840046 15932 C04858 NA C1C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)(CO)O null null null map00944 Flavone and flavonol biosynthesis
HMDB0028690 Alanyl-Isoleucine HMDB0028690 NA NA NA CCC(C)C(NC(=O)C(C)N)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0030809 (2R,3S)-Piscidic acid HMDB0030809 120693 997963 NA C1=CC(=CC=C1CC(C(C(=O)O)O)(C(=O)O)O)O Phenylpropanoids and polyketides Phenylpropanoic acids null NA
C04931 Argatroban HMDB0014423 152951 NA C04931 NA C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NC[C@@H](C3)C null null null NULL
HMDB0014615 Fluoxetine HMDB0014615 3386 5118 NA CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F Benzenoids Benzene and substituted derivatives Trifluoromethylbenzenes NA
HMDB0013864 CGP71422 HMDB0013864 NA NA NA CC1=C(NC2=[NH+]C=CC(=N2)C2=C[N-][CH]C=C2)C=C(NC(=O)C2=CC=C(CN3CCN(C)(=O)CC3)C=C2)C=C1 Benzenoids Benzene and substituted derivatives Anilides NA
HMDB0031615 Dioctyltin isooctylthioglycolate HMDB0031615 15978303 NA NA CCCCCCCC[Sn+2]CCCCCCCC.CCCCC(CC)COC(=O)C[S-].CCCCC(CC)COC(=O)C[S-] Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives NA
C15700 gamma-Glutamyl-gamma-aminobutyraldehyde METPA1197 NA NA C15700 NA NA null null null map00330 Arginine and proline metabolism; map01100 Metabolic pathways
HMDB0013016 Neuromedin B (1-3) HMDB0013016 53481577 NA NA CC(C)C[C@H](C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)CN Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C07864 Rabeprazole HMDB0005026 5029 8768 C07864 NA CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC Organoheterocyclic compounds Benzimidazoles Sulfinylbenzimidazoles NULL
HMDB0028699 Alanyl-Tyrosine HMDB0028699 NA NA NA CC(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0031689 1-Hexanol arabinosylglucoside HMDB0031689 NA NA NA CCCCCCOC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides NA
C09926 Dihydromethysticin HMDB0030791 229852 1034670 C09926 NA COC1=CC(=O)OC(C1)CCC2=CC3=C(C=C2)OCO3 null null null NULL
HMDB0031139 Chinenoside V HMDB0031139 NA NA NA CC(COC1OC(CO)C(O)C(O)C1O)CC(CO)C1=C(C)C2C(CC3C4CC(=O)C5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)O1 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
C08568 Vulgaxanthin I HMDB0029840 22524619 NA C08568 NA C\1C(NC(=C/C1=C\C=[NH+]\C(CCC(=O)N)C(=O)[O-])C(=O)O)C(=O)O null null null NULL
C16568 Homotrypanothione disulfide METPA1348 NA NA C16568 NA NA null null null map00480 Glutathione metabolism
C12753 Troleandomycin HMDB0015448 202225 659106 C12753 NA C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NULL
C07943 Entacapone HMDB0012226 5281081 4798 C07943 NA CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives NULL
HMDB0030975 Corchoionoside B HMDB0030975 NA NA NA CC1=CC(=O)CC(C)(C)C1(O)\C=C\C(=O)COC1OC(CO)C(O)C(O)C1O Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides NA
C05122 Taurocholic acid HMDB0000036 440567 28865 C05122 5104 CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1([C@H](CC3C2[C@@H](C[C@H]4C3(CC[C@H](C4)O)C)O)O)C null null null map00120 Primary bile acid biosynthesis; map00121 Secondary bile acid biosynthesis; map00430 Taurine and hypotaurine metabolism; map01100 Metabolic pathways; map04976 Bile secretion; map04979 Cholesterol metabolism
HMDB0010351 11-beta-Hydroxyandrosterone-3-glucuronide HMDB0010351 53480452 NA NA C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4=O)C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
C00385 Xanthine HMDB0000292 1188 17712 C00385 82 C1=NC2=C(N1)C(=O)NC(=O)N2 Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives map00230 Purine metabolism; map00232 Caffeine metabolism; map01060 Biosynthesis of plant secondary metabolites; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments
HMDB0029140 Valyl-Valine HMDB0029140 NA NA NA CC(C)C(N)C(=O)NC(C(C)C)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C01762 Xanthosine HMDB0000299 64959 18107 C01762 3408 C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O Nucleosides, nucleotides, and analogues Purine nucleosides null map00230 Purine metabolism; map00232 Caffeine metabolism; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
C07874 2-Methylacetophenone HMDB0032386 11339 NA C07874 NA CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acid esters NULL
C11221 Leucyl-phenylalanine HMDB0013243 259325 383437 C11221 NA CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N null null null NULL
HMDB0030736 Capsianoside IV HMDB0030736 NA NA NA C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CCC(C)(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)C=C Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides NA
C12564 Aripiprazole HMDB0005042 60795 31236 C12564 NA C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl Organoheterocyclic compounds Diazinanes Piperazines NULL
C05789 L-Urobilinogen HMDB0004157 440783 36479 C05789 NA CCC1C(C(=O)NC1CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4C(C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C Organoheterocyclic compounds Tetrapyrroles and derivatives Bilirubins map00860 Porphyrin and chlorophyll metabolism
HMDB0031023 Achyranthoside D HMDB0031023 NA NA NA CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)C(O)=O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
C11169 Sulfathiazole HMDB0015619 5340 9337 C11169 NA C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2 Benzenoids Benzene and substituted derivatives Benzenesulfonamides NULL
HMDB0031025 Betavulgaroside IV HMDB0031025 53463045 NA NA CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC(C(C(=O)O)O)OCC(=O)O)O)C)C)C2C1)C)C(=O)O)C Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
C02678 Dodecanedioic acid HMDB0000623 12736 4676 C02678 5596 C(CCCCCC(=O)O)CCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates NULL
HMDB0028703 Arginyl-Arginine HMDB0028703 NA NA NA NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C08187 Cabergoline HMDB0014393 54746 3286 C08187 NA CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)CC=C Alkaloids and derivatives Ergoline and derivatives Lysergic acids and derivatives NULL
C04537 N,N'-Diacetylchitobiosyldiphosphodolichol HMDB0001196 22833564 NA C04537 NA CC(CC/C=C(\C)/CC=C(C)C)CCOP(=O)(O)OP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)O)O)NC(=O)O null null null NULL
C07650 Gemcitabine HMDB0014584 60750 175901 C07650 NA C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine 2'-deoxyribonucleosides NULL
HMDB0030630 Rubraflavone C HMDB0030630 10255010 NA NA CC(=CCC/C(=C/CC1=C(OC2=CC(=C(C(=C2C1=O)O)CC=C(C)C)O)C3=C(C=C(C=C3)O)O)/C)C Phenylpropanoids and polyketides Flavonoids Flavones NA
HMDB0029030 Prolyl-Valine HMDB0029030 NA NA NA CC(C)C(NC(=O)C1CCCN1)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0028734 Asparaginyl-Isoleucine HMDB0028734 NA NA NA CCC(C)C(NC(=O)C(N)CC(N)=O)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0035134 Armillaridin HMDB0035134 NA NA NA COC1=C(Cl)C(C)=C(C(=O)OC2CC3(C)C4CC(C)(C)CC4C=C(C=O)C23O)C(O)=C1 Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids NA
C01937 Methotrexate HMDB0014703 126941 44185 C01937 NA CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map04976 Bile secretion
C08540 Betanin HMDB0029408 4480716 NA C08540 NA C1C(NC(=CC1=CC=[N+]2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)[O-])C(=O)O)C(=O)O null null null map00965 Betalain biosynthesis; map01110 Biosynthesis of secondary metabolites
C00155 Homocysteine HMDB0000742 778 17230 C00155 3256 C(CS)C(C(=O)O)N null null null map00270 Cysteine and methionine metabolism; map00920 Sulfur metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01230 Biosynthesis of amino acids; map01523 Antifolate resistance; map04621 NOD-like receptor signaling pathway
C00559 Deoxyadenosine HMDB0000101 13730 17256 C00559 3382 C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)CO)O Nucleosides, nucleotides, and analogues Purine nucleosides Purine 2'-deoxyribonucleosides map00230 Purine metabolism; map01100 Metabolic pathways
HMDB0031147 Chlorophyll c HMDB0031147 NA NA NA CCC1=C(C)/C2=C/C3=C(C=C)C(C)=C(N3)\C=C3/N=C(C(\C=C\C(O)=O)=C3C)C3=C(C(=O)OC)C(O)=C4C(C)=C(\C=C\1/N\2)N=C34 Organoheterocyclic compounds Tetrapyrroles and derivatives Porphyrins NA
HMDB0011675 DHAP(10:0) HMDB0011675 53481023 NA NA CCCCCCCCCC(=O)OCC(=O)COP(=O)(O)O Organic oxygen compounds Organooxygen compounds Carbonyl compounds NA
HMDB0010321 3,17-Androstanediol glucuronide HMDB0010321 3034755 NA NA C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)OC(=O)[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)O)O)O)O Lipids and lipid-like molecules Steroids and steroid derivatives Steroid esters NA
HMDB0031694 Butyl (S)-3-hydroxybutyrate glucoside HMDB0031694 NA NA NA CCCCOC(=O)CC(C)OC1OC(CO)C(O)C(O)C1O Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides NA
C00214 Thymidine HMDB0000273 5789 17748 C00214 3375 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine 2'-deoxyribonucleosides map00240 Pyrimidine metabolism; map01100 Metabolic pathways
HMDB0015543 Pivmecillinam HMDB0015543 NA 1162842 NA [H]C(=N[C@@H]1C(=O)N2[C@@H](C(=O)OCOC(=O)C(C)(C)C)C(C)(C)S[C@]12[H])N1CCCCCC1 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C15849 Angiotensin IV HMDB0001038 123814 528953 C15849 NA CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map04614 Renin-angiotensin system
C02155 Glycylleucine HMDB0000759 92843 185298 C02155 5727 CC(C)C[C@@H](C(=O)O)NC(=O)CN Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NULL
C12283 Saccharin HMDB0029723 5143 32111 C12283 NA C1=CC=C2C(=C1)C(=O)NS2(=O)=O Organoheterocyclic compounds Benzothiazoles null map04742 Taste transduction
C00669 gamma-Glutamylcysteine HMDB0001049 123938 17515 C00669 5966 C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00480 Glutathione metabolism; map01100 Metabolic pathways; map04216 Ferroptosis
HMDB0006512 3-Mercaptolactate-cysteine disulfide HMDB0006512 193536 NA NA C([C@@H](C(=O)O)N)SSCC(C(=O)O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0003323 Biotripyrrin-a HMDB0003323 10298558 NA 6881 CC1=C(/C(=C\C2=C(C(=C(N2)/C=C/3\C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/NC1=O)CCC(=O)O null null null NA
HMDB0029656 Erinacine E HMDB0029656 NA NA NA CC(C)C1=C2C3CC=C4C5C(OC6OCC(O)(C4O)C(O)C56O)C3(C)CCC2(C)CC1 Lipids and lipid-like molecules Prenol lipids Diterpenoids NA
HMDB0014729 Fluocinolone Acetonide HMDB0014729 6215 205252 NA C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)F)O Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids NA
HMDB0031112 Neoacrimarine F HMDB0031112 NA NA NA COC1=CC2=C(C(O)=C1)C(=O)C1=C(N2C)C(OC2C(O)C(C)(C)OC3=C2C2=C(C=CC(=O)O2)C=C3)=C(O)C=C1 Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines NA
C00123 L-Leucine HMDB0000687 6106 15603 C00123 24 CC(C)C[C@@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00280 Valine, leucine and isoleucine degradation; map00290 Valine, leucine and isoleucine biosynthesis; map00966 Glucosinolate biosynthesis; map00970 Aminoacyl-tRNA biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01065 Biosynthesis of alkaloids derived from histidine and purine; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map02010 ABC transporters; map04150 mTOR signaling pathway; map04974 Protein digestion and absorption; map04978 Mineral absorption; map05230 Central carbon metabolism in cancer
C01909 Dethiobiotin HMDB0003581 445027 42280 C01909 3351 C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O null null null map00780 Biotin metabolism; map01100 Metabolic pathways
C05643 6-Hydroxymelatonin HMDB0004081 1864 308079 C05643 7013 CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)O Organoheterocyclic compounds Indoles and derivatives Hydroxyindoles map00380 Tryptophan metabolism
C07324 Omeprazole HMDB0001913 4594 7772 C07324 1632 CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC Organoheterocyclic compounds Benzimidazoles Sulfinylbenzimidazoles NULL
C03410 N-Glycolylneuraminic acid HMDB0000833 123802 62084 C03410 3580 C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O Organooxygen compounds Carbohydrates and carbohydrate conjugates Sugar acids and derivatives map00520 Amino sugar and nucleotide sugar metabolism
C00931 Porphobilinogen HMDB0000245 1021 17381 C00931 76 C1=C(C(=C(N1)CN)CC(=O)O)CCC(=O)O Organic nitrogen compounds Organonitrogen compounds Amines map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments
C07053 Isoetharine HMDB0014366 3762 775164 C07053 NA CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C Benzenoids Phenols Benzenediols NULL
C07825 Flumazenil HMDB0015336 3373 5103 C07825 NA CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C Organoheterocyclic compounds Benzodiazepines 1,4-benzodiazepines NULL
HMDB0034871 Spinacoside D HMDB0034871 NA NA NA CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)=O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
C12081 Soyasaponin II HMDB0034650 NA NA C12081 NA CC1OC(OC2C(O)C(O)COC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)C(O)C1O null null null NULL
HMDB0034816 Betavulgaroside VIII HMDB0034816 NA NA NA CC1(C)C(CCC2(C)C1CCC1(C)C2CC=C2C3CC(=C)CCC3(CCC12C)C(=O)OC1OC(CO)C(O)C(O)C1O)OC1OC(C(O)C(OC(OCC(O)=O)C(O)C(O)=O)C1O)C(O)=O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
C09709 Phytuberin HMDB0035754 315114 NA C09709 NA CC(=O)OC(C)(C)C1CCC2(COC3(C2(C1)OC=C3)C)C null null null NULL
HMDB0033063 2,3-Butanediol apiosylglucoside HMDB0033063 NA NA NA CC(O)C(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
HMDB0012936 Dynorphin B (10-13) HMDB0012936 53481556 NA NA C[C@@H]([C@@H](C(=O)O)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CCCCN)N)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0015110 Dipyridamole HMDB0015110 3108 4653 NA C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO Organic nitrogen compounds Organonitrogen compounds Amines NA
C08086 Amprenavir HMDB0014839 65016 40050 C08086 NA CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N Benzenoids Benzene and substituted derivatives Benzenesulfonamides NULL
HMDB0015653 Lumefantrine HMDB0015653 6437380 156095 NA CCCCN(CCCC)CC(C1=C2C3=C(C=C(C=C3)Cl)/C(=C/C4=CC=C(C=C4)Cl)/C2=CC(=C1)Cl)O Benzenoids Fluorenes null NA
HMDB0031024 Achyranthoside C HMDB0031024 NA NA NA CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC(OCC(O)=O)C(O)C(O)=O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
C07868 Metoclopramide HMDB0015363 4168 107736 C07868 NA CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl Benzenoids Phenol ethers Aminophenyl ethers NULL
HMDB0029626 5alpha-Ethoxy-6beta-hydroxy-5,6-dihydrophysalin B HMDB0029626 NA NA NA CCOC12CC=CC(=O)C1(C)C1CCC3(O)C(=O)OC4(C)C5CC6(C)C7C(=O)C(OC347)(OCC6C(=O)O5)C1CC2O Lipids and lipid-like molecules Steroids and steroid derivatives Physalins and derivatives NA
C05659 5-Methoxytryptamine HMDB0004095 1833 2089 C05659 7015 COC1=CC2=C(C=C1)NC=C2CCN Organoheterocyclic compounds Indoles and derivatives Tryptamines and derivatives map00380 Tryptophan metabolism
HMDB0005764 Melanostatin HMDB0005764 92910 259663 NA CC(C)C[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1 Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C00306 Bradykinin HMDB0004246 439201 3165 C00306 NA C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)N)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NULL
HMDB0032341 Isoamyl isothiocyanate HMDB0032341 79086 NA NA CC(C)CCN=C=S Organosulfur compounds Isothiocyanates null NA
C01598 Melatonin HMDB0001389 896 16796 C01598 73 CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC Organoheterocyclic compounds Indoles and derivatives Indoles map00380 Tryptophan metabolism; map01100 Metabolic pathways; map04080 Neuroactive ligand-receptor interaction; map04713 Circadian entrainment
HMDB0013075 Spermic acid 2 HMDB0013075 167029 NA NA C(CCNCCC(=O)O)CNCCC(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C05961 6-Keto-prostaglandin F1a HMDB0002886 5280888 28158 C05961 6782 CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC(=O)CCCCC(=O)O)O)O)O Lipids and lipid-like molecules Fatty Acyls Eicosanoids map00590 Arachidonic acid metabolism; map01100 Metabolic pathways
C05640 Cinnavalininate HMDB0004078 114918 NA C05640 NA C1=CC(=C2C(=C1)OC3=CC(=O)C(=C(C3=N2)C(=O)O)N)C(=O)O Organoheterocyclic compounds Benzoxazines Phenoxazines map00380 Tryptophan metabolism
C00371 Cis-zeatin HMDB0012204 449093 16522 C00371 NA C/C(=C\CNC1=NC=NC2=C1NC=N2)/CO Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives map00908 Zeatin biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04075 Plant hormone signal transduction
HMDB0028830 Glutamyltryptophan HMDB0028830 100094 73512 NA C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C04300 Estradiol-17alpha 3-D-glucuronoside HMDB0010349 11988264 15822 C04300 NA C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O null null null NULL
HMDB0033492 Pectenotoxin 3 HMDB0033492 NA NA NA CC1CCOC(O)(C2CC3OC(=O)C(C)C4CCCC5(CCC(O5)C(O)C5(C)CC(=O)C(O5)C5CC6(CCC(O6)(O5)C5CCC(C)(CC(C)\C=C(/C)\C=C\C3O2)O5)C=O)O4)C1O Phenylpropanoids and polyketides Macrolides and analogues Pectenotoxins and derivatives NA
HMDB0000682 Indoxyl sulfate HMDB0000682 10258 43355 524 C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)O Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates NA
HMDB0011499 LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)) HMDB0011499 53480948 NA NA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0029625 3-O-Protocatechuoylceanothic acid HMDB0029625 NA NA NA CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(CCC34C)C(C)(C)C(OC(=O)C3=CC(O)=C(O)C=C3)C5C(O)=O)C12)C(O)=O Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
C08033 Dalfopristin HMDB0015566 21943991 NA C08033 NA CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C1C(=O)O[C@@H]([C@@H](/C=C\C(=O)NC/C=C\C(=C/[C@H](CC(=O)CC3=NC(=CO3)C2=O)O)\C)C)C(C)C null null null NULL
HMDB0000912 Succinyladenosine HMDB0000912 20849086 71169 5867 C1=NC2=C(C(=N1)N[C@@H](CC(=O)O)C(=O)O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O Nucleosides, nucleotides, and analogues Purine nucleosides null NA
HMDB0008823 PE(14:0/15:0) HMDB0008823 24178114 NA C00350 NA CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0029651 Phlorisobutyrophenone 2-glucoside HMDB0029651 NA NA NA CC(C)C(=O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=C(O)C=C1O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
C01737 Neomycin HMDB0015129 8378 7508 C01737 NA C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00524 Neomycin, kanamycin and gentamicin biosynthesis; map01130 Biosynthesis of antibiotics
HMDB0028985 Methionyl-Tyrosine HMDB0028985 NA NA NA CSCCC(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0028809 Glutaminyltyrosine HMDB0028809 9972600 NA NA C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)N)N)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C11899 10-Deacetyl-2-debenzoylbaccatin III METPA1069 NA NA C11899 NA NA null null null map00904 Diterpenoid biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
C01443 Ouabain HMDB0015224 439501 472805 C01443 NA C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones map04976 Bile secretion
C07482 Montelukast HMDB0014614 5281040 50730 C07482 NA CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids null NULL
C04486 4-[2,2'-Bithiophen-5-yl]-3-butyn-1-ol HMDB0034453 440357 16887 C04486 NA C1=CSC(=C1)C2=CC=C(S2)C#CCCO Organoheterocyclic compounds Bi- and oligothiophenes null NULL
HMDB0030993 5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid HMDB0030993 NA NA NA CCCCCCCCCC1CC(C(O)=O)C(=O)O1 Organoheterocyclic compounds Lactones Gamma butyrolactones NA
HMDB0032676 Chloropanaxydiol HMDB0032676 130756 NA NA CCCCCCCC1C(O1)CC#CC#CC(C(CCl)O)O Organohalogen compounds Halohydrins Chlorohydrins NA
HMDB0013852 Sulfamethoxazole N4-hydroxylamine HMDB0013852 114821 53016 NA CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NO Benzenoids Benzene and substituted derivatives Benzenesulfonamides NA
C06935 Cyproheptadine HMDB0014578 2913 4046 C06935 NA CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1 Benzenoids Dibenzocycloheptenes null NULL
HMDB0029177 3'-O-Methyl-(-)-epicatechin-7-O-sulphate HMDB0029177 NA NA NA COC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(OS([O-])=O)=C2 Phenylpropanoids and polyketides Flavonoids Flavans NA
HMDB0030462 Hordatine A glucoside HMDB0030462 NA NA NA NC(=N)NCCCCNC(=O)\C=C/C1=CC(O)=C2OC(C(C(=O)NCCCCNC(N)=N)C2=C1)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1 Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids null NA
HMDB0030206 Jubanine B HMDB0030206 NA NA NA COC1=CC=C2OC3CCN(C3\C(O)=N/C(CC3=CC=CC=C3)\C(O)=N/C=C/C1=C2)C(=O)C(CC1=CC=CC=C1)\N=C(/O)C(CC1=CC=CC=C1)N(C)C Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0014098 5'-Hydroxytenoxicam HMDB0014098 NA NA NA CN1\C(=C(/O)NC2=CC=C(O)C=N2)C(=O)C2=C(C=CS2)S1(=O)=O Organoheterocyclic compounds Thienothiazines null NA
C10474 Lusitanicoside HMDB0034120 4484591 NA C10474 NA CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)CC=C)O)O)O)O)O)O null null null NULL
HMDB0034321 Digitoxigenin 3-[glucosyl-(1->6)-glucosyl-(1->4)-2,6-dideoxyribohexoside] HMDB0034321 NA NA NA CC1OC(CC(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC1CCC2(C)C(CCC3C2CCC2(C)C(CCC32O)C2=CC(=O)OC2)C1 Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones NA
C00279 D-Erythrose 4-phosphate HMDB0001321 122357 48153 C00279 6158 C([C@H]([C@H](C=O)O)O)OP(=O)(O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00030 Pentose phosphate pathway; map00400 Phenylalanine, tyrosine and tryptophan biosynthesis; map00710 Carbon fixation in photosynthetic organisms; map00750 Vitamin B6 metabolism; map01060 Biosynthesis of plant secondary metabolites; map01061 Biosynthesis of phenylpropanoids; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism; map01230 Biosynthesis of amino acids
HMDB0029614 (?±)-Conen HMDB0029614 93117 NA NA CCCCOP(=O)(SCC)SCC1=CC=CC=C1 Benzenoids Benzene and substituted derivatives null NA
C07524 Midazolam HMDB0014821 4192 127611 C07524 NA CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F Organoheterocyclic compounds Benzodiazepines 1,4-benzodiazepines NULL
C09042 (-)-Aspidospermine HMDB0030361 227613 28463 C09042 NA CC[C@]12CCCN3[C@H]1[C@@]4(CC3)[C@@H](CC2)N(C5=C4C=CC=C5OC)C(=O)C Alkaloids and derivatives Aspidospermatan-type alkaloids null NULL
C06832 Astemizole HMDB0014775 2247 2896 C06832 NA COC1=CC=C(C=C1)CCN2CCC(CC2)NC3=NC4=CC=CC=C4N3CC5=CC=C(C=C5)F Organoheterocyclic compounds Benzimidazoles null NULL
HMDB0015641 Dabigatran etexilate HMDB0015641 213023 661520 NA CCCCCCOC(=O)N=C(C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)N Organoheterocyclic compounds Benzimidazoles null NA
HMDB0015108 Ezetimibe HMDB0015108 150311 49040 NA C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O Organoheterocyclic compounds Lactams Beta lactams NA
HMDB0014388 Ranolazine HMDB0014388 56959 441382 NA CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O Benzenoids Phenol ethers Anisoles NA
C01246 Dolichyl b-D-glucosyl phosphate HMDB0001054 22833557 15812 C01246 5969 CC(CC/C=C(/C)\CCC=C(C)C)CCOP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O null null null map00510 N-Glycan biosynthesis; map01100 Metabolic pathways
C01412 Butanal HMDB0003543 261 15743 C01412 6947 CCCC=O Organic oxygen compounds Organooxygen compounds Carbonyl compounds map00650 Butanoate metabolism; map01120 Microbial metabolism in diverse environments
C00078 L-Tryptophan HMDB0000929 6305 16828 C00078 5879 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N Organoheterocyclic compounds Indoles and derivatives Indolyl carboxylic acids and derivatives map00260 Glycine, serine and threonine metabolism; map00380 Tryptophan metabolism; map00400 Phenylalanine, tyrosine and tryptophan biosynthesis; map00404 Staurosporine biosynthesis; map00901 Indole alkaloid biosynthesis; map00966 Glucosinolate biosynthesis; map00970 Aminoacyl-tRNA biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01061 Biosynthesis of phenylpropanoids; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids; map04726 Serotonergic synapse; map04974 Protein digestion and absorption; map04978 Mineral absorption; map05143 African trypanosomiasis; map05230 Central carbon metabolism in cancer
C00780 Serotonin HMDB0000259 5202 28790 C00780 74 C1=CC2=C(C=C1O)C(=CN2)CCN Organoheterocyclic compounds Indoles and derivatives Tryptamines and derivatives map00380 Tryptophan metabolism; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01100 Metabolic pathways; map04024 cAMP signaling pathway; map04080 Neuroactive ligand-receptor interaction; map04540 Gap junction; map04721 Synaptic vesicle cycle; map04726 Serotonergic synapse; map04742 Taste transduction; map04750 Inflammatory mediator regulation of TRP channels; map04976 Bile secretion; map07211 Serotonin receptor agonists/antagonists
C12270 N-Acetylaspartylglutamic acid HMDB0001067 5255 200472 C12270 NA CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O null null null map00250 Alanine, aspartate and glutamate metabolism; map01100 Metabolic pathways; map04080 Neuroactive ligand-receptor interaction
C05554 Aerobactin HMDB0004051 123762 18157 C05554 7008 CC(=O)N(CCCC[C@@H](C(=O)O)NC(=O)CC(CC(=O)N[C@@H](CCCCN(C(=O)C)O)C(=O)O)(C(=O)O)O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00310 Lysine degradation; map01120 Microbial metabolism in diverse environments
HMDB0034713 Fumonisin A1 HMDB0034713 NA NA NA CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CC(O)CCCCC(O)CC(O)C(C)\N=C(\C)O)OC(=O)CC(CC(O)=O)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Fumonisins NA
C00542 Allocystathionine HMDB0000455 10104953 NA C00542 5444 C(CSCC(C(=O)O)N)[C@@H](C(=O)O)N null null null NULL
HMDB0028787 Cysteinyl-Tyrosine HMDB0028787 NA NA NA NC(CS)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0014828 Flurazepam HMDB0014828 3393 195929 NA CCN(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F Organoheterocyclic compounds Benzodiazepines 1,4-benzodiazepines NA
HMDB0011678 Geranylgeranylcysteine HMDB0011678 53481025 NA NA CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C(=O)N[C@@H](CS)C(=O)O)/C)/C)/C)C Lipids and lipid-like molecules Prenol lipids Diterpenoids NA
HMDB0011498 LysoPE(0:0/24:1(15Z)) HMDB0011498 53480947 NA NA CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0034624 Vinaginsenoside R1 HMDB0034624 NA NA NA CC1OC(OC2C(O)C(O)C(COC(C)=O)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C3(C)CCC(O3)C(C)(C)O)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
C08991 Ziziphin HMDB0035750 NA NA C08991 NA CC1OC(OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CCC3C5C6(CC43CO6)OC(CC5(C)OC3OC(C)C(O)C(OC(C)=O)C3OC(C)=O)C=C(C)C)C2(C)C)C(O)C(O)C1O null null null NULL
HMDB0028920 Isoleucyl-Valine HMDB0028920 NA NA NA CCC(C)C(N)C(=O)NC(C(C)C)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C11180 Pyrimethanil HMDB0033135 91650 8674 C11180 NA CC1=CC(=NC(=N1)NC2=CC=CC=C2)C Benzenoids Benzene and substituted derivatives Aniline and substituted anilines NULL
C04498 4-Hydroxycinnamoylagmatine HMDB0033460 5280691 86080 C04498 NA C1=CC(=CC=C1/C=C/C(=O)NCCCCN=C(N)N)O Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives map00330 Arginine and proline metabolism
C01844 Pravastatin HMDB0005022 54687 63618 C01844 2053 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O Organic acids and derivatives Hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives map04976 Bile secretion
HMDB0033613 Glabrin D HMDB0033613 5317651 NA NA CC(C)C1C(=O)NC(C(=O)NCC(=O)N2CCCC2C(=O)NC(C(=O)N3CCCC3C(=O)N4CCCC4C(=O)N1)CCC(=O)O)CC5=CC=C(C=C5)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C00993 D-Alanyl-D-alanine HMDB0003459 5460362 16576 C00993 6937 C[C@H](C(=O)N[C@H](C)C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00473 D-Alanine metabolism; map00550 Peptidoglycan biosynthesis; map01100 Metabolic pathways; map01502 Vancomycin resistance
HMDB0031954 3-Methyl-3-butenyl apiosyl-(1->6)-glucoside HMDB0031954 NA NA NA CC(=C)CCOC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides NA
HMDB0033665 N'-Hydroxyneosaxitoxin HMDB0033665 NA NA NA ONC(=O)OCC1C2NC(=N)NC22N(CCC2(O)O)C(=N)N1O Phenylpropanoids and polyketides Saxitoxins, gonyautoxins, and derivatives null NA
HMDB0029783 Mono-trans-p-coumaroylmesotartaric acid HMDB0029783 10108584 NA NA C1=CC(=CC=C1/C=C/C(=O)OC(C(C(=O)O)O)C(=O)O)O Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives NA
C00761 Coniferin HMDB0013682 5280372 16220 C00761 NA COC1=C(C=CC(=C1)/C=C/CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O Organooxygen compounds Carbohydrates and carbohydrate conjugates Glycosyl compounds map00940 Phenylpropanoid biosynthesis
HMDB0035438 Promucosine HMDB0035438 23244604 NA NA COC1=C(C2=C3C(CC24C=CC(=O)C=C4)N(CCC3=C1)C(=O)OC)OC Alkaloids and derivatives Proaporphines null NA
C09189 Stevioside HMDB0034945 548198 NA C09189 NA CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O null null null map01062 Biosynthesis of terpenoids and steroids; map01110 Biosynthesis of secondary metabolites
HMDB0013019 Neuromedin C 1-8 HMDB0013019 53481580 NA NA C[C@@H](C(=O)N[C@H](C(C)C)C(=O)NCC(=O)N[C@H](CC1=CN=CN1)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@@H](CC4=CN=CN4)NC(=O)[C@@H](CC(=O)N)NC(=O)CN Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0028919 Isoleucyl-Tyrosine HMDB0028919 NA NA NA CCC(C)C(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C03002 Paucine HMDB0029876 NA NA C03002 NA NCCCC\N=C(/O)\C=C/C1=CC(O)=C(O)C=C1 Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives NULL
C05841 Nicotinate D-ribonucleoside HMDB0006809 161234 27748 C05841 NA C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00760 Nicotinate and nicotinamide metabolism; map01100 Metabolic pathways
HMDB0028716 Arginyl-Phenylalanine HMDB0028716 NA NA NA NC(CCCNC(N)=N)C(=O)NC(CC1=CC=CC=C1)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C08716 Malvidin HMDB0003201 69512 698299 C08716 3462 COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O.[Cl-] Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids NULL
HMDB0000843 N-Acetylgalactosamine 4,6-disulfate HMDB0000843 22833549 NA 5806 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)COS(=O)(=O)O)OS(=O)(=O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
HMDB0002171 Glycylprolylhydroxyproline HMDB0002171 21252274 NA 6524 C1C[C@H](N(C1)C(=O)CN)C(=O)N2CCC([C@H]2C(=O)O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C00170 5'-Methylthioadenosine HMDB0001173 439176 17509 C00170 3425 CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O Nucleosides, nucleotides, and analogues 5'-deoxyribonucleosides 5'-deoxy-5'-thionucleosides map00270 Cysteine and methionine metabolism; map00908 Zeatin biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01100 Metabolic pathways
HMDB0006985 CDP-DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0006985 53477929 NA NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids CDP-glycerols NA
HMDB0015615 Rotigotine HMDB0015615 57537 NA NA CCCN(CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3O Benzenoids Tetralins null NA
HMDB0030076 Cheirotoxol HMDB0030076 4262075 NA NA CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones NA
HMDB0029361 Alkaloid RC HMDB0029361 NA NA NA CN1CCC2=CC3=C(OCO3)C=C2C2OC(OC3OC(CO)C(O)C(O)C3O)C3=C(C=CC4=C3OCO4)C12 Alkaloids and derivatives Rhoeadine alkaloids null NA
HMDB0014669 Lercanidipine HMDB0014669 65866 518487 NA CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC Benzenoids Benzene and substituted derivatives Diphenylmethanes NA
C02712 N-Acetyl-L-methionine HMDB0011745 6180 165927 C02712 NA CC(=O)NC(CCSC)C(=O)O null null null NULL
C11700 10-Deacetylbaccatin III METPA1053 NA NA C11700 NA NA null null null map00904 Diterpenoid biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
HMDB0035944 Cyclopassifloside I HMDB0035944 NA NA NA CC(C)C(O)(CO)CC(O)C(C)C1CCC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
C01007 Riboflavin reduced HMDB0001557 22833571 NA C01007 6322 C1=CC=C2C(=C1)N=C3C(=O)NC(=O)N=C3N2C[C@H]([C@H]([C@@H](CO)O)O)O null null null map00740 Riboflavin metabolism; map01100 Metabolic pathways
HMDB0034679 Cinncassiol D2 glucoside HMDB0034679 NA NA NA CC(COC1OC(CO)C(O)C(O)C1O)C1CC2C3(O)C4OC(O)(CC2(C)C2(O)CCC(C)(O)C42)C13C Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
C00031 D-Glucose HMDB0000122 5793 4167 C00031 133 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00010 Glycolysis / Gluconeogenesis; map00030 Pentose phosphate pathway; map00052 Galactose metabolism; map00500 Starch and sucrose metabolism; map00520 Amino sugar and nucleotide sugar metabolism; map00521 Streptomycin biosynthesis; map00524 Neomycin, kanamycin and gentamicin biosynthesis; map00901 Indole alkaloid biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map02010 ABC transporters; map02020 Two-component system; map02060 Phosphotransferase system (PTS); map04066 HIF-1 signaling pathway; map04068 FoxO signaling pathway; map04113 Meiosis - yeast; map04152 AMPK signaling pathway; map04742 Taste transduction; map04910 Insulin signaling pathway; map04911 Insulin secretion; map04917 Prolactin signaling pathway; map04922 Glucagon signaling pathway; map04930 Type II diabetes mellitus; map04931 Insulin resistance; map04932 Non-alcoholic fatty liver disease (NAFLD); map04933 AGE-RAGE signaling pathway in diabetic complications; map04973 Carbohydrate digestion and absorption; map04976 Bile secretion; map04978 Mineral absorption; map05111 Biofilm formation - Vibrio cholerae; map05230 Central carbon metabolism in cancer
C01814 Haloperidol HMDB0014645 3559 5613 C01814 NA C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F Organic oxygen compounds Organooxygen compounds Carbonyl compounds NULL
HMDB0031690 cis-3-Hexenyl b-primeveroside HMDB0031690 NA NA NA CC\C=C/CCOC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides NA
C07264 Nicardipine HMDB0014760 4474 507549 C07264 NA CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC Organoheterocyclic compounds Pyridines and derivatives Hydropyridines NULL
HMDB0006990 CDP-DG(18:1(11Z)/18:2(9Z,12Z)) HMDB0006990 53477933 NA NA CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids CDP-glycerols NA
HMDB0029130 Valyl-Isoleucine HMDB0029130 NA NA NA CCC(C)C(NC(=O)C(N)C(C)C)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C06604 Parathion HMDB0001355 991 27928 C06604 NA CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-] Organic acids and derivatives Organic thiophosphoric acids and derivatives Thiophosphoric acid esters map00627 Aminobenzoate degradation; map01120 Microbial metabolism in diverse environments
C16562 Glutathionylspermine METPA1343 NA NA C16562 NA NA null null null map00480 Glutathione metabolism
HMDB0030531 Janthitrem G HMDB0030531 10394234 NA NA CC(=O)OC1C=C2C(CCC3(C2(CCC4C3(C5=C(C4)C6=CC7=C(C=C6N5)C8=CC(OC(C8C7)(C)C)(C)C)C)O)C)OC1C(C)(C)O Organoheterocyclic compounds Naphthopyrans null NA
C10803 Demissine HMDB0034205 4486606 NA C10803 NA CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)C null null null NULL
HMDB0030510 Notoginsenoside C HMDB0030510 NA NA NA CC(=C)C(CCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C)OO Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
C01495 3-Hydroxyflavone HMDB0031816 11349 5078 C01495 NA C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O Phenylpropanoids and polyketides Flavonoids Flavones map01060 Biosynthesis of plant secondary metabolites
C01674 Chitobiose HMDB0003556 22833609 NA C01674 6953 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00520 Amino sugar and nucleotide sugar metabolism; map01100 Metabolic pathways; map02010 ABC transporters; map02060 Phosphotransferase system (PTS)
C03427 Prephytoene diphosphate HMDB0003023 24883415 17090 C03427 3592 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/[C@@H]1[C@H]([C@]1(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)COP(=O)(O)OP(=O)(O)O)/C)/C)/C)C Lipids and lipid-like molecules Prenol lipids Triterpenoids map00906 Carotenoid biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
C06961 Diphenidol HMDB0015361 3055 4638 C06961 NA C1CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O Benzenoids Benzene and substituted derivatives Diphenylmethanes NULL
HMDB0009926 PIP(16:0/18:2(9Z,12Z)) HMDB0009926 53480123 NA C00626 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositol phosphates NA
HMDB0002759 Androsterone sulfate HMDB0002759 159663 83037 3559 C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)OS(=O)(=O)O Lipids and lipid-like molecules Steroids and steroid derivatives Sulfated steroids NA
C07132 Thiethylperazine HMDB0014516 5440 9544 C07132 NA CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C Organoheterocyclic compounds Benzothiazines Phenothiazines NULL
HMDB0033468 Diferuloylputrescine HMDB0033468 5321825 NA NA COC1=C(C=CC(=C1)/C=C/C(=O)NCCCCNC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives NA
HMDB0009243 PE(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0009243 52924877 NA C00350 NA CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
C01230 All-trans-hexaprenyl diphosphate HMDB0012188 5280413 17528 C01230 NA CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)C Lipids and lipid-like molecules Prenol lipids Polyprenols map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map00900 Terpenoid backbone biosynthesis; map01110 Biosynthesis of secondary metabolites
HMDB0006576 Lacto-N-fucopentaose III HMDB0006576 53477857 NA NA C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)CO)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)NC(=O)C)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
HMDB0011170 gamma-Glutamylisoleucine HMDB0011170 22885096 68434 NA CC[C@H](C)[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C00664 5-Formiminotetrahydrofolic acid HMDB0001534 530 15639 C00664 6305 C1C(N(C2=C(N1)NC(=NC2=O)N)C=N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O null null null map00670 One carbon pool by folate; map01100 Metabolic pathways
C07773 Ambenonium HMDB0015254 2131 2627 C07773 NA CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NULL
HMDB0013946 8-Hydroxycarvedilol HMDB0013946 9979639 NA NA COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=C(N3)C(=CC=C4)O)O Organoheterocyclic compounds Indoles and derivatives Carbazoles NA
C04217 Geranylfarnesyl diphosphate HMDB0012231 5280659 16818 C04217 NA CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)/C)/C)C Lipids and lipid-like molecules Prenol lipids Polyprenols NULL
HMDB0030434 Loquatifolin A HMDB0030434 NA NA NA CC1OC(OCC2OC(OC(C)(CC\C=C(/C)CCC=C(C)C)C=C)C(O)C(O)C2OC2OC(C)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
HMDB0031786 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium(1+) HMDB0031786 NA 52896 NA CCN(CC)C1=CC2=C(C=C1)C(C1=CC=CC=C1C(O)=O)=C1C=CC(C=C1O2)=[N+](CC)CC Organoheterocyclic compounds Benzopyrans 1-benzopyrans NA
C07339 Quinacrine HMDB0015235 237 8711 C07339 NA CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC Organoheterocyclic compounds Quinolines and derivatives Benzoquinolines NULL
HMDB0015631 Alvimopan HMDB0015631 5488548 535293 NA C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](CC3=CC=CC=C3)C(=O)NCC(=O)O Organic acids and derivatives Peptidomimetics Hybrid peptides NA
C08760 Glaucarubin HMDB0035626 3321199 NA C08760 NA CCC(C)(C(=O)OC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(C=C5C)O)O)C)OC1=O)O)O)C)O null null null NULL
HMDB0028764 Aspartyl-Tryptophan HMDB0028764 NA NA NA NC(CC(O)=O)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0011538 MG(0:0/18:2(9Z,12Z)/0:0) HMDB0011538 5365676 NA NA CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives NA
HMDB0034544 AzIII HMDB0034544 NA NA NA CC1OC(OC2C(O)C(O)C(OC2OC2C(O)C(O)C(OC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(OC6CC(=O)C(O)=C(C)O6)C5(C)CCC43C)C2(C)CO)C(O)=O)C(O)=O)C(O)C(O)C1O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
HMDB0031380 (6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide HMDB0031380 NA NA NA CC(C)C12C(C(C)=CC1=O)C1=C(C2=O)C23CCCC(C)(C)C2C(OC3=O)C1O Lipids and lipid-like molecules Prenol lipids Terpene lactones NA
C01661 Doxorubicin HMDB0015132 31703 28748 C01661 NA C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O Phenylpropanoids and polyketides Anthracyclines null map01057 Biosynthesis of type II polyketide products; map01130 Biosynthesis of antibiotics
C00016 FAD HMDB0001248 643975 16238 C00016 6106 CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O Nucleosides, nucleotides, and analogues Flavin nucleotides null map00740 Riboflavin metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04977 Vitamin digestion and absorption
C05688 Selenocysteine HMDB0003288 25076 16633 C05688 3292 C([C@@H](C(=O)O)N)[SeH] Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00450 Selenocompound metabolism; map01100 Metabolic pathways
HMDB0012450 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0012450 46891812 NA NA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
C00257 Gluconic acid HMDB0000625 10690 33198 C00257 345 C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00030 Pentose phosphate pathway; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map01200 Carbon metabolism
HMDB0000594 gamma-Glutamylphenylalanine HMDB0000594 111299 89582 5573 C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C01169 (S)-Succinyldihydrolipoamide HMDB0001177 439425 17432 C01169 6058 C(CCC(=O)N)C[C@H](CCS)SC(=O)CCC(=O)O null null null NULL
HMDB0030423 28-Homobrassinolide HMDB0030423 4285635 NA NA CCC(C(C)C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones NA
C11831 Divinylprotochlorophyllide METPA1061 NA NA C11831 NA NA null null null map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
C00978 N-Acetylserotonin HMDB0001238 903 17697 C00978 366 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O Organoheterocyclic compounds Indoles and derivatives Hydroxyindoles map00380 Tryptophan metabolism; map01100 Metabolic pathways
C08894 Deltonin HMDB0029311 4483040 NA C08894 NA CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1 null null null NULL
HMDB0034947 Rebaudioside C HMDB0034947 NA NA NA CC1OC(OC2C(OC34CC5(CC3=C)CCC3C(C)(CCCC3(C)C(=O)OC3OC(CO)C(O)C(O)C3O)C5CC4)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
C08309 5-Methoxydimethyltryptamine HMDB0002004 1832 2086 C08309 NA CN(C)CCC1=CNC2=C1C=C(C=C2)OC Organoheterocyclic compounds Indoles and derivatives Tryptamines and derivatives NULL
HMDB0031827 Fumonisin FP2 HMDB0031827 10629162 NA NA CCCCC(C)C(C(CC(C)CCCCCCC(CC(C(C)[N+]1=CC=CC(=C1)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Hexacarboxylic acids and derivatives NA
C02135 Angiotensin II HMDB0001035 172198 2719 C02135 NA CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map04614 Renin-angiotensin system; map04924 Renin secretion; map07229 Angiotensin receptor and endothelin receptor antagonists
C07005 Flunisolide HMDB0014326 82153 5106 C07005 NA C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@]35C)F)O Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids NULL
HMDB0035940 Mulberrofuran T HMDB0035940 NA NA NA CC(C)=CCC1=C(O)C=CC2=C1OC(=C2)C1=CC(O)=C(C2C=C(C)CC(C2C(=O)C2=C(O)C(CC=C(C)C)=C(O)C=C2)C2=C(O)C=C(O)C=C2)C(O)=C1 Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids null NA
C11269 Virginiamycin HMDB0030520 122731 NA C11269 NA CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=CC=C6)C Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NULL
HMDB0033241 Glycylalanylprolylmethionylphenylalanylvalinamide HMDB0033241 44208910 NA NA CC(C)C(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCSC)NC(=O)C2CCCN2C(=O)C(C)NC(=O)CN Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0034617 (3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al 14-xyloside HMDB0034617 NA NA NA CCOC1CC2C34OC3(CCC4(C)CCC2(C)C(OC2OCC(O)C(O)C2O)C=C1C=O)C(C)C Lipids and lipid-like molecules Prenol lipids Diterpenoids NA
HMDB0030117 Asparagoside G HMDB0030117 3042722 NA NA CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
C00180 Benzoic acid HMDB0001870 243 30746 C00180 1297 C1=CC=C(C=C1)C(=O)O null null null map00360 Phenylalanine metabolism; map00362 Benzoate degradation; map00621 Dioxin degradation; map00623 Toluene degradation; map00627 Aminobenzoate degradation; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds
HMDB0002577 Cholic acid glucuronide HMDB0002577 21252309 NA 6714 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
HMDB0034635 Esculentoside E HMDB0034635 53462068 NA NA CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(CO6)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)O Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
HMDB0012372 PS(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) HMDB0012372 52926006 NA NA CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
C16787 AK toxin I HMDB0030401 46173828 NA C16787 NA CC(C1=CC=CC=C1)C(C(=O)OC(/C=C/C=C\C=C\C(=O)O)C2(CO2)C)NC(=O)C Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NULL
C02284 Glycyrrhizin HMDB0029843 3495 15939 C02284 NA CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C null null null NULL
C07204 Vincristine HMDB0014681 5978 28445 C07204 NA CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O Alkaloids and derivatives Vinca alkaloids null map00901 Indole alkaloid biosynthesis; map01110 Biosynthesis of secondary metabolites
HMDB0004135 Poly-g-D-glutamate HMDB0004135 53477778 NA C05723 NA C(C[C@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@H](C(=O)O)N)C=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C12012 Tigecycline HMDB0014700 NA 149836 C12012 NA [H][C@@]12CC3=C(C=C(NC(=O)CNC(C)(C)C)C(O)=C3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C Phenylpropanoids and polyketides Tetracyclines null NULL
HMDB0002472 (3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid HMDB0002472 53477752 NA NA C[C@H](CCC(=O)NCC(=O)O)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
C00933 Sinapine HMDB0029379 89287 16353 C00933 NA C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives map00940 Phenylpropanoid biosynthesis
HMDB0006595 Alpha-Trisaccharide HMDB0006595 53477862 NA NA C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@](C)([C@H]([C@@H](CO)O)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)NC(=O)C)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
HMDB0001045 Enkephalin L HMDB0001045 461776 103389 NA CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0035439 3',4',5'-Trimethoxytricetin 7-[rhamnosyl-(1->6)-glucoside] HMDB0035439 NA NA NA COC1=CC(=CC(OC)=C1OC)C1=CC(=O)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2O1 Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides NA
C07014 Fluvastatin HMDB0015227 1548972 5136 C07014 NA CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@@H](C[C@@H](CC(=O)O)O)O)C3=CC=C(C=C3)F Organoheterocyclic compounds Pyrroles Substituted pyrroles map04976 Bile secretion
C11758 Mupirocin HMDB0014554 446596 135271 C11758 NA C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates NULL
HMDB0010397 LysoPC(20:5(5Z,8Z,11Z,14Z,17Z)) HMDB0010397 11757087 NA C04230 NA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
HMDB0002486 Taurochenodeoxycholate-3-sulfate HMDB0002486 44263374 NA 6697 C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)S(=O)(=O)O)C)O)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives NA
HMDB0010032 PIP2(16:0/16:0) HMDB0010032 53480223 NA C00626 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositol phosphates NA
HMDB0006993 CDP-DG(18:1(11Z)/22:3(10Z,13Z,16Z)) HMDB0006993 53477936 NA NA CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids CDP-glycerols NA
C11134 Testosterone glucuronide HMDB0003193 108192 28835 C11134 2794 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=CC(=O)CC[C@]35C Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides map00140 Steroid hormone biosynthesis
HMDB0006981 CDP-DG(18:0/18:2(9Z,12Z)) HMDB0006981 53477925 NA NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids CDP-glycerols NA
HMDB0013531 PGP(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0013531 53481849 NA NA CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerophosphates NA
HMDB0011514 LysoPE(20:3(11Z,14Z,17Z)/0:0) HMDB0011514 53480950 NA NA CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
C10350 Monocrotaline HMDB0034363 4246 6980 C10350 NA CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O null null null NULL
C01134 Pantetheine 4'-phosphate HMDB0001416 987 16858 C01134 NA CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O null null null map00332 Carbapenem biosynthesis; map00770 Pantothenate and CoA biosynthesis; map01100 Metabolic pathways; map01130 Biosynthesis of antibiotics
HMDB0032771 Eremopetasitenin C2 HMDB0032771 NA NA NA COC12CC3CCC(OC(=O)\C=C\SC)C(C)C3(C)C(OC(=O)C(\C)=C\C)C1=C(C)C(=O)O2 Lipids and lipid-like molecules Prenol lipids Terpene lactones NA
HMDB0035372 Licoagrodin HMDB0035372 NA NA NA CC(C)=CCC1=C(O)C=CC(=C1)C12OC34C(OC5=C3C=CC(O)=C5CC=C(C)C)OC3=CC(O)=CC=C3C4C1C(=O)C1=CC(CC=C(C)C)=C(O)C=C1O2 Phenylpropanoids and polyketides Flavonoids Flavans NA
HMDB0031227 Marshdimerin HMDB0031227 NA NA NA CC(C)(OC1=C2C=C(C(=O)OC2=C(OC2=C3C=C(C(=O)OC3=C(C3=C2C=CC(C)(C)O3)C(C)(C)C=C)C(C)(C)C=C)C2=C1C=CC(C)(C)O2)C(C)(C)C=C)C=C Phenylpropanoids and polyketides Coumarins and derivatives Pyranocoumarins NA
C01608 Piroxicam HMDB0014694 54676228 8249 C01608 NA CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3 Organoheterocyclic compounds Benzothiazines null NULL
C04227 p-Octopamine HMDB0004825 440266 44715 C04227 7087 C1=CC(=CC=C1[C@H](CN)O)O Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids map04080 Neuroactive ligand-receptor interaction
C21516 Paliperidone HMDB0015396 115237 568656 C21516 NA CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F Organoheterocyclic compounds Pyridopyrimidines null NULL
C06956 Digoxin HMDB0001917 2724385 4551 C06956 2047 C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones map04976 Bile secretion
HMDB0002511 3,4,5-Trimethoxycinnamic acid HMDB0002511 735755 NA 6705 COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)O Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives NA
C12650 Capecitabine HMDB0015233 60953 31348 C12650 NA CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O Nucleosides, nucleotides, and analogues 5'-deoxyribonucleosides null map00983 Drug metabolism - other enzymes
C07652 Mifepristone HMDB0014972 55245 50692 C07652 NA CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)O Lipids and lipid-like molecules Steroids and steroid derivatives Oxosteroids NULL
HMDB0030233 Sarsasapogenin 3-[4''-glucosyl-6''-arabinosylglucoside] HMDB0030233 NA NA NA CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(COC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
HMDB0028918 Isoleucyl-Tryptophan HMDB0028918 NA NA NA CCC(C)C(N)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0014660 Trandolapril HMDB0014660 5484727 521317 NA CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0015381 Gliquidone HMDB0015381 91610 441224 NA CC1(C2=C(C=C(C=C2)OC)C(=O)N(C1=O)CCC3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4CCCCC4)C Organoheterocyclic compounds Isoquinolines and derivatives 1,3-isoquinolinediones NA
C06694 Fusidic Acid HMDB0015570 3000226 29013 C06694 NA C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Steroid esters NULL
C05793 L-Urobilin HMDB0004159 5280818 NA C05793 7022 CCC1C(C(=O)NC1CC2=N/C(=C/C3=C(C(=C(N3)CC4C(C(C(=O)N4)CC)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C null null null map00860 Porphyrin and chlorophyll metabolism
C02166 Leukotriene C4 HMDB0001198 5280493 16978 C02166 3681 CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00590 Arachidonic acid metabolism; map01100 Metabolic pathways; map04080 Neuroactive ligand-receptor interaction; map04664 Fc epsilon RI signaling pathway; map04726 Serotonergic synapse; map04976 Bile secretion; map05310 Asthma
HMDB0006969 CDP-DG(16:0/18:0) HMDB0006969 53477913 NA NA CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O Lipids and lipid-like molecules Glycerophospholipids CDP-glycerols NA
C01081 Thiamine monophosphate HMDB0002666 3382778 37574 C01081 3488 CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)[O-] null null null map00730 Thiamine metabolism; map01100 Metabolic pathways
HMDB0015435 Polystyrene sulfonate HMDB0015435 NA NA NA OS(=O)(=O)C1=CC=C(C=C)C=C1 Benzenoids Benzene and substituted derivatives Benzenesulfonic acids and derivatives NA
C07919 Metocurine HMDB0015429 21233 339465 C07919 NA C[N+]1(CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C Organic oxygen compounds Organooxygen compounds Ethers map07221 Nicotinic cholinergic receptor antagonists
C07201 Vinblastine HMDB0014710 241903 27375 C07201 NA CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O Alkaloids and derivatives Vinca alkaloids null map00901 Indole alkaloid biosynthesis; map01063 Biosynthesis of alkaloids derived from shikimate pathway; map01110 Biosynthesis of secondary metabolites; map04976 Bile secretion
HMDB0028711 Arginyl-Histidine HMDB0028711 NA NA NA NC(CCCNC(N)=N)C(=O)NC(CC1=CN=CN1)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C00734 Chitosan HMDB0003404 71853 NA C00734 NA COC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)N)O)CO)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)N)O)N)O)N)O)N)O)N)O)N)O null null null map00520 Amino sugar and nucleotide sugar metabolism; map01100 Metabolic pathways
HMDB0009474 PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0009474 52924872 NA C00350 NA CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0030204 1-(2-Furanylmethyl)-1H-pyrrole HMDB0030204 15037 NA NA C1=CN(C=C1)CC2=CC=CO2 Organoheterocyclic compounds Pyrroles Substituted pyrroles NA
C07953 Chlorprothixene HMDB0015369 667466 50932 C07953 NA CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)Cl null null null NULL
C16138 L-Pyrrolysine METPA1236 NA NA C16138 NA NA null null null map00300 Lysine biosynthesis; map00970 Aminoacyl-tRNA biosynthesis; map01120 Microbial metabolism in diverse environments; map04974 Protein digestion and absorption
C05595 4-Hydroxyphenylacetylglutamine HMDB0006061 440731 28036 C05595 NA C1=CC(=CC=C1CC(=O)NC(CCC(=O)O)C(=O)O)O null null null map00350 Tyrosine metabolism
HMDB0035607 Saponin H HMDB0035607 NA NA NA CC(C)=CC(O)CC1(C)OC1C1CCC2C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC2(C)C11COC(=O)C1 Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
C00166 Phenylpyruvic acid HMDB0000205 997 30851 C00166 328 C1=CC=C(C=C1)CC(=O)C(=O)O Benzenoids Benzene and substituted derivatives Phenylpyruvic acid derivatives map00360 Phenylalanine metabolism; map00400 Phenylalanine, tyrosine and tryptophan biosynthesis; map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01130 Biosynthesis of antibiotics; map01210 2-Oxocarboxylic acid metabolism; map01230 Biosynthesis of amino acids
C02633 Crustecdysone HMDB0030180 271605 16587 C02633 NA CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O null null null map00981 Insect hormone biosynthesis
C07266 Nifedipine HMDB0015247 4485 7565 C07266 NA CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC Organoheterocyclic compounds Pyridines and derivatives Hydropyridines NULL
C06825 Amlodipine HMDB0005018 2162 2668 C06825 955 CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN Organoheterocyclic compounds Pyridines and derivatives Hydropyridines NULL
HMDB0015590 Fluspirilene HMDB0015590 3396 166238 NA C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F Benzenoids Benzene and substituted derivatives Diphenylmethanes NA
HMDB0012348 PS(14:1(9Z)/18:3(9Z,12Z,15Z)) HMDB0012348 52925233 NA NA CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
C10062 Gambogic acid HMDB0034095 5353639 NA C10062 NA CC(=CCCC1(C=CC2=C(O1)C(=C3C(=C2O)C(=O)C4=CC5CC6C4(O3)C(C5=O)(OC6(C)C)C/C=C(/C)\C(=O)O)CC=C(C)C)C)C null null null NULL
HMDB0035893 Elaterinide HMDB0035893 5901827 NA NA CC(=O)OC(C)(C)/C=C/C(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)C)O)O Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
HMDB0005774 Endomorphin-2 HMDB0005774 5311081 297398 NA C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0029333 Amphibine H HMDB0029333 51029223 NA NA CC(C)C(C(=O)N1CCC2C1C(=O)NC(C(=O)N/C=C/C3=C(C=CC(=C3)O2)OC)CC4=CC=CC=C4)NC(=O)C(C)N(C)C Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0031891 Capsianoside III HMDB0031891 NA NA NA CC1OC(OCC2OC(OC3C(O)C(O)C(CO)OC3OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C=C)C(O)C(O)C2O)C(O)C(O)C1O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
C16529 Tetracosanoyl-CoA HMDB0006526 53477849 NA C16529 NA CCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1C([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O Lipids and lipid-like molecules Fatty Acyls Fatty acyl thioesters map01040 Biosynthesis of unsaturated fatty acids; map01212 Fatty acid metabolism
HMDB0032622 Phenethyl rutinoside HMDB0032622 NA NA NA CC1OC(OCC2OC(OCCC3=CC=CC=C3)C(O)C(O)C2O)C(O)C(O)C1O Organooxygen compounds Carbohydrates and carbohydrate conjugates Glycosyl compounds NA
HMDB0001054 Dolichyl b-D-glucosyl phosphate HMDB0001054 22833557 15812 C01246 5969 CC(CC/C=C(/C)\CCC=C(C)C)CCOP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids NA
HMDB0002379 Mesoporphyrin IX HMDB0002379 NA NA 6655 CCC1=C(C)/C2=C/C3=C(CC)C(C)=C(N3)\C=C3/N=C(/C=C4\N=C(\C=C\1/N\2)C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C Organoheterocyclic compounds Tetrapyrroles and derivatives Porphyrins NA
HMDB0032799 (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol HMDB0032799 NA NA NA CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides NA
HMDB0014661 Caspofungin HMDB0014661 2826718 474180 NA CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CCN)O)O)NCCN)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0028958 Lysyl-Phenylalanine HMDB0028958 NA NA NA NCCCCC(N)C(=O)NC(CC1=CC=CC=C1)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0007003 CPA(16:0/0:0) HMDB0007003 9801940 NA NA CCCCCCCCCCCCCCCC(=O)OCC1COP(=O)(O1)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates NA
HMDB0035386 (24E)-3alpha-Acetoxy-15alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid HMDB0035386 NA NA NA CC(CC(=O)\C=C(\C)C(O)=O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
HMDB0029321 Asparagoside F HMDB0029321 NA NA NA CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(OC4OCC(O)C(O)C4O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)OC11CCC(C)CO1 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
C08278 Suberic acid HMDB0000893 10457 9300 C08278 4243 C(CCCC(=O)O)CCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates NULL
C06863 Butorphanol HMDB0014749 5361092 3242 C06863 NA C1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3CC5CCC5)C=C(C=C4)O)O null null null NULL
HMDB0003689 Neuroprotectin D1 HMDB0003689 16042541 NA NA CC/C=C\C[C@@H](/C=C\C=C\C=C\[C@@H](C/C=C\C/C=C\CCC(=O)O)O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates NA
HMDB0002639 Sulfolithocholylglycine HMDB0002639 53477756 NA C11301 6725 C[C@H](CCC(=O)NCC(=O)O)C1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives NA
HMDB0014324 Ramipril HMDB0014324 5362129 8774 NA CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0034327 Glucoconvallasaponin B HMDB0034327 NA NA NA CC1C2C(CC3C4CCC5(OC6OCC(O)C(O)C6O)C(O)C(CC(O)C5(C)C4CCC23C)OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
C00870 4-Nitrophenol HMDB0001232 980 16836 C00870 4100 C1=CC(=CC=C1[N+](=O)[O-])O Benzenoids Phenols Nitrophenols map00627 Aminobenzoate degradation; map01120 Microbial metabolism in diverse environments
HMDB0033369 Hydroxypropyl methyl cellulose HMDB0033369 13991976 30618 NA COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O)O null null null NA
C08933 Camellidin I HMDB0034926 NA NA C08933 NA CC(=O)OC12CCC(C)(C)CC1C1=CCC3C4(C)CCC(OC5OC(C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)=O)C(C)(C)C4CCC3(C)C1(C)CC2=O null null null NULL
HMDB0033222 (1R,3S,4S,6R)-6,9-Dihydroxyfenchone 6-O-b-D-glucoside HMDB0033222 NA NA NA CC1(CO)C2CC(OC3OC(CO)C(O)C(O)C3O)C(C)(C2)C1=O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
HMDB0002318 Capsianoside I HMDB0002318 14610541 NA NA C/C(=C\CCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O)/CC/C=C(\C)/CC(/C=C(\C)/C(=O)O)O Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides NA
HMDB0012987 Kinetensin 4-8 HMDB0012987 53481568 NA NA C1C[C@@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H](CCCN=C(N)N)N)C(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O null null null NA
C16546 N-Desmethyltamoxifen HMDB0013866 6378383 NA C16546 NA CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3 Phenylpropanoids and polyketides Stilbenes null map00982 Drug metabolism - cytochrome P450
C00746 Oxytocin HMDB0002865 53477758 NA C00746 1691 CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N null null null NULL
C07415 Paroxetine HMDB0014853 43815 7936 C07415 NA C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4 Organoheterocyclic compounds Piperidines Phenylpiperidines NULL
HMDB0035700 Lucidenic acid J HMDB0035700 NA NA NA CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
HMDB0008821 PE(14:0/14:0) HMDB0008821 9852308 NA C00350 NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0002640 N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine HMDB0002640 21252317 NA 6726 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)OS(=O)(=O)O)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives NA
HMDB0033210 Lyciumoside VIII HMDB0033210 NA NA NA C\C(CC\C=C(/C)C(O)C\C=C(\C)COC1OC(CO)C(O)C(O)C1O)=C/CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
C06503 Hydrogenobyrinate a,c diamide METPA0828 NA NA C06503 NA NA null null null map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways
HMDB0033799 26-Desglucoavenacoside A HMDB0033799 NA NA NA CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)(CO)O1 Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
HMDB0030505 Bargustanine HMDB0030505 NA NA NA COC1=C(OC2=C3C(C(O)C4=CC(O)=C(O)C=C4)N(C)CCC3=CC(OC)=C2O)C=C2CN(C)CCC2=C1 Organoheterocyclic compounds Isoquinolines and derivatives Benzylisoquinolines NA
HMDB0031757 Notoginsenoside J HMDB0031757 NA NA NA CC(C)(O)C(O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
C11641 3',4'-Anhydrovinblastine METPA1050 NA NA C11641 NA NA null null null map00901 Indole alkaloid biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
HMDB0030011 (1alpha,3beta,20S,22R,24S,25S)-Pubescenin HMDB0030011 NA NA NA CC(C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C1CC2(C)OC2(C)C(=O)O1 Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones NA
HMDB0029569 Dibutyl disulfide HMDB0029569 12386 NA NA CCCCSSCCCC Organosulfur compounds Organic disulfides Dialkyldisulfides NA
C06184 Methylisopelletierine HMDB0030326 86786 NA C06184 NA CC(=O)CC1CCCCN1C Organoheterocyclic compounds Piperidines null map00960 Tropane, piperidine and pyridine alkaloid biosynthesis; map01064 Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid; map01110 Biosynthesis of secondary metabolites
HMDB0000888 Undecanedioic acid HMDB0000888 15816 73713 5846 C(CCCCC(=O)O)CCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates NA
HMDB0013020 Neuromedin C HMDB0013020 53481581 NA NA C[C@@H](C(=O)N[C@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)NC(CC(C)C)C(=O)N[C@H](CCSC)C(=O)N)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@@H](CC(=O)N)NC(=O)CN Organic Polymers Polypeptides null NA
C11231 Docetaxel HMDB0015378 148124 NA C11231 NA CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O Lipids and lipid-like molecules Prenol lipids Diterpenoids map04976 Bile secretion
C00156 4-Hydroxybenzoic acid HMDB0000500 135 30763 C00156 5486 C1=CC(=CC=C1C(=O)O)O Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives map00130 Ubiquinone and other terpenoid-quinone biosynthesis; map00360 Phenylalanine metabolism; map00362 Benzoate degradation; map00363 Bisphenol degradation; map00623 Toluene degradation; map00627 Aminobenzoate degradation; map00790 Folate biosynthesis; map01061 Biosynthesis of phenylpropanoids; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds; map07110 Benzoic acid family
C04327 4-Methyl-5-(2-phosphoethyl)-thiazole METPA0487 NA NA C04327 NA NA null null null map00730 Thiamine metabolism; map01100 Metabolic pathways
HMDB0013017 Neuromedin B (4-10) HMDB0013017 53481578 NA NA C[C@H]([C@H](C(=O)NCC(=O)N[C@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](CCSC)C(=O)N)NC(=O)[C@@H](C)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)N)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0009937 PIP(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) HMDB0009937 53480132 NA C00626 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)O)OP(=O)(O)O)O)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositol phosphates NA
C07240 Ritonavir HMDB0014646 392622 NA C07240 NA CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map04976 Bile secretion
HMDB0009928 PIP(16:0/20:2(11Z,14Z)) HMDB0009928 53480125 NA C00626 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositol phosphates NA
HMDB0035498 Fevicordin B 2-[rhamnosyl-(1->4)-glucosyl-(1->6)-glucoside] HMDB0035498 NA NA NA CC1OC(OC2C(CO)OC(OCC3OC(OC4=C(O)C(C)=C5CCC6C7(C)CC(O)C(C(C)(O)C(=O)CCC(C)(C)OC(C)=O)C7(C)CC(=O)C6(C)C5=C4)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
HMDB0010036 PIP2(16:0/18:1(11Z)) HMDB0010036 53480227 NA C00626 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositol phosphates NA
HMDB0002430 (3a,5b,7a)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-b-D-Glucopyranosiduronic acid HMDB0002430 21252299 NA 6678 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
HMDB0032814 Quinquenoside I HMDB0032814 NA NA NA C\C=C\C(=O)OCC1OC(OC2C(O)C(O)C(CO)OC2OC2CCC3(C)C(CCC4(C)C3CC(O)C3C(CCC43C)C(C)(CCC=C(C)C)OC3OC(CO)C(O)C(O)C3O)C2(C)C)C(O)C(O)C1O Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
HMDB0010402 LysoPC(22:5(4Z,7Z,10Z,13Z,16Z)) HMDB0010402 53480473 NA C04230 NA CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O null null null NA
HMDB0035822 Glucosyl 6-hydroxy-2,6-dimethyl-2E,7-octadienoate HMDB0035822 NA NA NA C\C(=C\CCC(C)(O)C=C)C(=O)OC1OC(CO)C(O)C(O)C1O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
HMDB0029953 D-erythro-D-galacto-octitol HMDB0029953 219890 NA NA C(C(C(C(C(C(C(CO)O)O)O)O)O)O)O Organooxygen compounds Carbohydrates and carbohydrate conjugates Sugar alcohols NA
HMDB0032823 Corchorusoside A HMDB0032823 NA NA NA CC1OC(CC(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CCC2(C)C3C(O)CC4(C)C(CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1 Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones NA
HMDB0014329 Pentagastrin HMDB0014329 444007 NA NA CC(C)COC(=O)NCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N Organic acids and derivatives Peptidomimetics Hybrid peptides NA
HMDB0035699 Corosin HMDB0035699 286498 NA NA CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C2C1(C)O)C)C(=O)O Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
C00854 1-Hexanol HMDB0012971 8103 113441 C00854 NA CCCCCCO null null null map00930 Caprolactam degradation; map01120 Microbial metabolism in diverse environments; map01220 Degradation of aromatic compounds
C05904 Pelargonidin HMDB0003263 67249 28510 C05904 3399 C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O)O.[Cl-] Phenylpropanoids and polyketides Flavonoids Hydroxyflavonoids map00941 Flavonoid biosynthesis; map00942 Anthocyanin biosynthesis; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
C03805 DHAP(18:0) HMDB0011133 440127 36476 C03805 NA CCCCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)(O)O Organic oxygen compounds Organooxygen compounds Carbonyl compounds NULL
C01079 Protoporphyrinogen IX HMDB0001097 121893 15435 C01079 6003 CC1=C2CC3=C(C(=C(N3)CC4=C(C(=C(N4)CC5=C(C(=C(N5)CC(=C1CCC(=O)O)N2)CCC(=O)O)C)C=C)C)C=C)C Organoheterocyclic compounds Tetrapyrroles and derivatives Porphyrins map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
C10827 Tomatine HMDB0034103 5513 9630 C10827 NA CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)NC1 null null null map01066 Biosynthesis of alkaloids derived from terpenoid and polyketide
HMDB0012340 PS(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0012340 52926027 NA NA CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoserines NA
HMDB0029885 Sorbitan laurate HMDB0029885 347468 1187364 NA CCCCCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O Lipids and lipid-like molecules Fatty Acyls Fatty acid esters NA
HMDB0031775 AzI HMDB0031775 NA NA NA CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CCC23C(O)=O)O1 Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
C08589 Crocin HMDB0002398 5281233 584345 C08589 NA C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/C)/C)/C=C/C=C(/C(=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)\C Lipids and lipid-like molecules Prenol lipids Diterpenoids map00999 Biosynthesis of secondary metabolites - unclassified; map01110 Biosynthesis of secondary metabolites
HMDB0029771 7,8-Dihydrovomifoliol 9-[apiosyl-(1->6)-glucoside] HMDB0029771 NA NA NA CC(CCC1(O)C(C)=CC(=O)CC1(C)C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides NA
HMDB0031935 Blumenol C O-[rhamnosyl-(1->6)-glucoside] HMDB0031935 NA NA NA CC(CCC1C(C)=CC(=O)CC1(C)C)OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides NA
HMDB0015672 Cabazitaxel HMDB0015672 9854073 63584 NA CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC)C)OC Lipids and lipid-like molecules Prenol lipids Diterpenoids NA
HMDB0032401 (+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone HMDB0032401 12980878 NA NA CC1=C(C=CO1)SC(C)C(=O)C Organosulfur compounds Thioethers Alkylarylthioethers NA
C07235 Rifabutin HMDB0014753 6323490 45367 C07235 NA C[C@H]1/C=C/C=C(\C(=O)NC2=C3C(=NC4(N3)CCN(CC4)CC(C)C)C5=C6C(=C(C(=C5C2=O)O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)/C null null null NULL
C17221 Trihomomethionine METPA1755 NA NA C17221 NA NA null null null map00966 Glucosinolate biosynthesis; map01210 2-Oxocarboxylic acid metabolism
HMDB0013576 PGP(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0013576 53481894 NA NA CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerophosphates NA
HMDB0012109 5,6-Dihydroxyprostaglandin F1a HMDB0012109 6439819 NA C06475 NA CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC(C(CCCC(=O)O)O)O)O)O)O Lipids and lipid-like molecules Fatty Acyls Eicosanoids NA
C08771 Nigakihemiacetal B HMDB0035922 283906 NA C08771 NA CC1C=C(C(=O)C2(C1CC3C4(C2C(=O)C(=C(C4CC(O3)O)C)OC)C)C)OC null null null NULL
C17470 Asparasaponin II HMDB0034063 NA NA C17470 NA CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O null null null NULL
HMDB0030460 Hordatine B glucoside HMDB0030460 NA NA NA COC1=C2OC(C(C(=O)NCCCCNC(N)=N)C2=CC(\C=C/C(=O)NCCCCNC(N)=N)=C1)C1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1 Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids null NA
C01477 Apigenin HMDB0002124 5280443 18388 C01477 3397 C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O Phenylpropanoids and polyketides Flavonoids Flavones map00941 Flavonoid biosynthesis; map00943 Isoflavonoid biosynthesis; map00944 Flavone and flavonol biosynthesis; map01061 Biosynthesis of phenylpropanoids; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
HMDB0010320 Cortolone-3-glucuronide HMDB0010320 53480447 NA NA CC12CC(CCC1CCC3C2C(=O)CC4(C3CCC4(C(CO)O)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
C08945 Ginsenoside Rf HMDB0034745 4483443 NA C08945 NA CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)O)C)O)C null null null NULL
HMDB0029803 Pentasine HMDB0029803 NA NA NA NC(CCCC[N+]1=CC(CCC(N)C(O)=O)=CC(CCC(N)C(O)=O)=C1\C=C\C(CCC(N)C(O)=O)CCC(N)C(O)=O)C(O)=O Organic acids and derivatives Carboxylic acids and derivatives Pentacarboxylic acids and derivatives NA
C02975 Ethyl 3-oxohexanoate HMDB0031307 238498 18119 C02975 NA CCCC(=O)CC(=O)OCC Organic acids and derivatives Keto acids and derivatives Beta-keto acids and derivatives NULL
HMDB0013483 PGP(16:0/22:4(7Z,10Z,13Z,16Z)) HMDB0013483 53481803 NA NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerophosphates NA
C01451 Salicin HMDB0003546 439503 17814 C01451 6948 C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates map00010 Glycolysis / Gluconeogenesis; map01061 Biosynthesis of phenylpropanoids; map02060 Phosphotransferase system (PTS); map04742 Taste transduction
C08491 Jasmonic acid HMDB0032797 5281166 18292 C08491 NA CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives map00592 alpha-Linolenic acid metabolism; map01060 Biosynthesis of plant secondary metabolites; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04075 Plant hormone signal transduction
HMDB0006991 CDP-DG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)) HMDB0006991 53477934 NA NA CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids CDP-glycerols NA
HMDB0013848 4-Hydroxyvalsartan HMDB0013848 9911647 NA NA CC(C)[C@@H](C(=O)O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(=O)CCC(C)O Organoheterocyclic compounds Azoles Tetrazoles NA
C00390 QH2 HMDB0001304 5280344 NA C00390 6146 CC1=C(C(=C(C(=C1O)OC)OC)O)C/C=C(\C)/CCC=C(C)C Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids map00190 Oxidative phosphorylation; map01100 Metabolic pathways
C04555 Dehydroepiandrosterone sulfate HMDB0001032 12594 16814 C04555 4095 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Sulfated steroids map00140 Steroid hormone biosynthesis; map04976 Bile secretion
C05962 6-Ketoprostaglandin E1 HMDB0004241 5280889 28269 C05962 7036 CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CC(=O)CCCCC(=O)O)O)O Lipids and lipid-like molecules Fatty Acyls Eicosanoids map00590 Arachidonic acid metabolism; map01100 Metabolic pathways
HMDB0032836 Lucyoside R HMDB0032836 NA NA NA CC1(C)CC2C3=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O Lipids and lipid-like molecules Prenol lipids Terpene glycosides NA
C01531 Sulindac HMDB0014743 1548887 9352 C01531 NA CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O Benzenoids Indenes and isoindenes null NULL
HMDB0004889 Ganglioside GA2 (d18:1/9Z-18:1) HMDB0004889 21252325 NA C06135 7146 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C)O)O)O)O)NC(=O)CCCCCCC/C=C\CCCCCCCC)O Lipids and lipid-like molecules Sphingolipids Glycosphingolipids NA
HMDB0029285 Avenanthramide 1s HMDB0029285 10947890 NA NA COC1=CC(=CC(=C1O)OC)/C=C/C(=O)NC2=CC=CC=C2C(=O)O Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives NA
HMDB0013507 PGP(18:0/18:2(9Z,12Z)) HMDB0013507 53481825 NA NA CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COP(=O)(O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerophosphates NA
C02061 Plastoquinone 8 HMDB0030129 NA NA C02061 NA CC(C)=CCC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(=O)C(C)=C(C)C1=O null null null map00195 Photosynthesis; map01100 Metabolic pathways
C10454 Methyleugenol HMDB0031864 7127 4918 C10454 NA COC1=C(C=C(C=C1)CC=C)OC Benzenoids Benzene and substituted derivatives Methoxybenzenes map00940 Phenylpropanoid biosynthesis
C02571 L-Acetylcarnitine HMDB0000201 1 NA C02571 5213 CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C null null null map04931 Insulin resistance
HMDB0011164 L-beta-aspartyl-L-glutamic acid HMDB0011164 25207301 NA NA C(CC(=O)O)C(C(=O)O)NC(=O)CC(C(=O)O)N Organic acids and derivatives Peptidomimetics Hybrid peptides NA
HMDB0033065 (x)-1,2-Propanediol 1-O-b-D-glucopyranoside HMDB0033065 21225084 NA NA CC(COC1C(C(C(C(O1)CO)O)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
HMDB0033029 delta5-Demissine HMDB0033029 NA NA NA CC1C2CCC(C)CN2C2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides NA
C01545 Octanal HMDB0001140 454 17935 C01545 6033 CCCCCCCC=O Organic oxygen compounds Organooxygen compounds Carbonyl compounds NULL
C09489 Lactucin HMDB0035814 3756497 NA C09489 NA CC1=C2C(C3C(C(C1)O)C(=C)C(=O)O3)C(=CC2=O)CO null null null NULL
HMDB0012881 Acetylcarnosine HMDB0012881 10221026 NA NA CC(=O)NCCC(=O)N[C@H](CC1=CN=CN1)C(=O)O Organic acids and derivatives Peptidomimetics Hybrid peptides NA
C04741 Prostaglandin E1 HMDB0001442 5280723 15544 C04741 416 CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O Lipids and lipid-like molecules Fatty Acyls Eicosanoids NULL
HMDB0013272 N-Lauroylglycine HMDB0013272 346152 74441 NA CCCCCCCCCCCC(=O)NCC(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C16506 (10S)-Juvenile hormone III acid diol METPA1793 NA NA C16506 NA NA null null null map00981 Insect hormone biosynthesis
HMDB0014018 4-Hydroxypropofol HMDB0014018 3014064 NA NA CC(C)C1=CC(=CC(=C1O)C(C)C)O Benzenoids Benzene and substituted derivatives Cumenes NA
C07350 3-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone HMDB0033798 441269 15951 C07350 NA CC(C)CC(=O)C1=C(C=C(C=C1O)O)O Benzenoids Benzene and substituted derivatives Phenols and derivatives NULL
C07402 Procarbazine HMDB0015299 4915 366225 C07402 NA CC(C)NC(=O)C1=CC=C(C=C1)CNNC Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives NULL
C06427 Alpha-Linolenic acid HMDB0001388 5280934 27432 C06427 6208 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives map00592 alpha-Linolenic acid metabolism; map01040 Biosynthesis of unsaturated fatty acids; map01060 Biosynthesis of plant secondary metabolites; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites
C00639 Prostaglandin F2a HMDB0001139 5283078 15553 C00639 6032 CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C/CCCC(=O)O)O)O)O null null null map00590 Arachidonic acid metabolism; map01100 Metabolic pathways; map04072 Phospholipase D signaling pathway; map04080 Neuroactive ligand-receptor interaction; map04726 Serotonergic synapse; map04913 Ovarian steroidogenesis; map04921 Oxytocin signaling pathway; map04976 Bile secretion
HMDB0000569 Deoxypyridinoline HMDB0000569 53477703 89510 5552 C1=C(C(=C(C=[N+]1CCCC[C@@H](C(=O)O)N)O)C[C@@H](C(=O)O)N)CC[C@@H](C(=O)[O-])N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
C09870 (+/-)-Menthyl acetate HMDB41264 220674 NA C09870 NA C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C)C(C)C null null null NULL
C05484 Pregnanediol HMDB0004025 3032822 NA C05484 7001 CC[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)(O)O)C)C null null null map00140 Steroid hormone biosynthesis; map01100 Metabolic pathways
C02278 Lauric aldehyde HMDB0033933 8194 27836 C02278 NA CCCCCCCCCCCC=O Organic oxygen compounds Organooxygen compounds Carbonyl compounds NULL
HMDB0032358 Lauroyl diethanolamide HMDB0032358 8430 NA NA CCCCCCCCCCCC(=O)N(CCO)CCO Lipids and lipid-like molecules Fatty Acyls Fatty amides NA
C00400 Menthol HMDB0003352 16666 15409 C00400 NA C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C Lipids and lipid-like molecules Prenol lipids Monoterpenoids map00902 Monoterpenoid biosynthesis; map01110 Biosynthesis of secondary metabolites; map04750 Inflammatory mediator regulation of TRP channels
C00535 Testosterone HMDB0000234 6013 17347 C00535 390 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids map00140 Steroid hormone biosynthesis; map00984 Steroid degradation; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01522 Endocrine resistance; map04913 Ovarian steroidogenesis; map05200 Pathways in cancer; map05215 Prostate cancer; map07226 Progesterone, androgen and estrogen receptor agonists/antagonists
C05468 5b-Cyprinol sulfate HMDB0006888 53477904 2149 C05468 NA CC(CCCC(CO)COS(=O)(=O)O)C1CCC2[C@@]1([C@@H](CC3C2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)O)C null null null map00120 Primary bile acid biosynthesis
C09289 Alantolactone HMDB0035906 327378 2540 C09289 NA CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C null null null NULL
C01875 2-Undecanone HMDB0033713 8163 17700 C01875 NA CCCCCCCCCC(=O)C Organic oxygen compounds Organooxygen compounds Carbonyl compounds NULL
HMDB0010208 15,16-DiHODE HMDB0010208 16061068 NA NA CCC(C(C/C=C\C/C=C\CCCCCCCC(=O)O)O)O Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives NA
C07052 Ipratropium bromide HMDB0014476 NA 46659 C07052 NA [Br-].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)C1=CC=CC=C1)[N@+]2(C)C(C)C null null null NULL
C05464 Deoxycholic acid glycine conjugate HMDB0000631 22833539 27471 C05464 5604 C[C@H](CCC(=O)NCC(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C null null null NULL
HMDB0015552 Acepromazine HMDB0015552 6077 44932 NA CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C Organoheterocyclic compounds Benzothiazines Phenothiazines NA
HMDB0030897 Lucidenolactone HMDB0030897 NA NA NA CC1(CCC(=O)O1)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O Lipids and lipid-like molecules Prenol lipids Triterpenoids NA
C00695 Cholic acid HMDB0000619 221493 16359 C00695 206 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives map00120 Primary bile acid biosynthesis; map00121 Secondary bile acid biosynthesis; map01100 Metabolic pathways; map04976 Bile secretion
C07913 Xylometazoline HMDB0015640 5709 214810 C07913 NA CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C Benzenoids Benzene and substituted derivatives Phenylpropanes NULL
C00523 Androsterone HMDB0000031 12306765 16032 C00523 2797 C[C@]12CCC(C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids map00140 Steroid hormone biosynthesis
C09715 Rishitin HMDB0035593 534260 NA C09715 NA CC1C(C(CC2=C1CC(CC2)C(=C)C)O)O null null null NULL
C06082 (S)-Abscisic acid HMDB0035140 5702609 18743 C06082 NA CC1=CC(=O)CC([C@]1(/C=C/C(=C/C(=O)O)/C)O)(C)C null null null map00906 Carotenoid biosynthesis; map01060 Biosynthesis of plant secondary metabolites; map01062 Biosynthesis of terpenoids and steroids; map01070 Biosynthesis of plant hormones; map01100 Metabolic pathways; map01110 Biosynthesis of secondary metabolites; map04075 Plant hormone signal transduction
HMDB0030924 2-Tetradecanone HMDB0030924 75364 NA NA CCCCCCCCCCCCC(=O)C Organic oxygen compounds Organooxygen compounds Carbonyl compounds NA
C07484 Zaleplon HMDB0015097 5719 10102 C07484 NA CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives NULL
C00059 Sulfate HMDB0001448 1117 16189 C00059 3233 [O-]S(=O)(=O)[O-] Homogeneous non-metal compounds Non-metal oxoanionic compounds Non-metal sulfates map00230 Purine metabolism; map00261 Monobactam biosynthesis; map00270 Cysteine and methionine metabolism; map00920 Sulfur metabolism; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01130 Biosynthesis of antibiotics; map02010 ABC transporters; map02024 Quorum sensing
HMDB0031688 Hexyl glucoside HMDB0031688 4462283 NA NA CCCCCCOC1C(C(C(C(O1)CO)O)O)O Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides NA
C01227 Dehydroepiandrosterone HMDB0000077 9860744 220467 C01227 5133 C[C@]12CCC3C(C1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids map00140 Steroid hormone biosynthesis; map00984 Steroid degradation; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map04913 Ovarian steroidogenesis; map05200 Pathways in cancer; map05215 Prostate cancer
HMDB0030869 Wistin HMDB0030869 12444947 NA NA COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)OC4C(C(C(C(O4)CO)O)O)O Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides NA
C14752 Zeranol HMDB0032702 22283 NA C14752 NA CC1CCCC(CCCCCC2=CC(=CC(=C2C(=O)O1)O)O)O null null null NULL
HMDB0030974 8-Acetoxy-4-acoren-3-one HMDB0030974 NA NA NA CC(C)C1C(CC(C)C11CC=C(C)C(=O)C1)OC(C)=O Organic oxygen compounds Organooxygen compounds Carbonyl compounds NA
C01948 Pentadecanal HMDB0031078 17697 17302 C01948 NA CCCCCCCCCCCCCCC=O Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes NULL
C00427 Prostaglandin H2 HMDB0001381 445049 15554 C00427 3495 CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)OO2)O Lipids and lipid-like molecules Fatty Acyls Eicosanoids map00590 Arachidonic acid metabolism; map01100 Metabolic pathways; map04611 Platelet activation; map04723 Retrograde endocannabinoid signaling; map04726 Serotonergic synapse; map04921 Oxytocin signaling pathway; map07034 Eicosanoids; map07035 Prostaglandins
HMDB0030597 Umbelliprenin HMDB0030597 1781412 NA NA CC(=CCC/C(=C\CC/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C)/C)C Lipids and lipid-like molecules Prenol lipids Terpene lactones NA
C08007 Buprenorphine HMDB0015057 644073 3216 C08007 NA C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O Benzenoids Phenanthrenes and derivatives null NULL
C08362 Palmitoleic acid HMDB0003229 445638 28716 C08362 188 CCCCCC/C=C\CCCCCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates map00061 Fatty acid biosynthesis
C07532 Ropivacaine HMDB0014441 175805 8890 C07532 NA CCCN1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NULL
C02528 Chenodeoxycholic acid HMDB0000518 10133 16755 C02528 207 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives map00120 Primary bile acid biosynthesis; map00121 Secondary bile acid biosynthesis; map01100 Metabolic pathways; map04976 Bile secretion
C04036 LysoPA(16:0/0:0) HMDB0007853 6419701 15799 C04036 NA CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates NULL
HMDB0033694 trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester HMDB0033694 NA NA NA OCC1(O)COC(OCC2OC(OC(=O)\C=C\C3=CC(O)=C(O)C=C3)C(O)C(O)C2O)C1O Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives NA
C13870 Glycerol tributanoate HMDB0031094 6050 296488 C13870 NA CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC Lipids and lipid-like molecules Glycerolipids Triradylcglycerols NULL
C07699 Nisoldipine HMDB0014545 4499 654892 C07699 NA CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC Organoheterocyclic compounds Pyridines and derivatives Hydropyridines NULL
HMDB0033290 Junosmarin HMDB0033290 NA NA NA CC(C)CC(=O)OC1C(O)C2=C(OC1(C)C)C=CC1=C2OC(=O)C=C1 Phenylpropanoids and polyketides Coumarins and derivatives Pyranocoumarins NA
C04778 N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole HMDB0003882 444941 16837 C04778 NA CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O Nucleosides, nucleotides, and analogues Benzimidazole ribonucleosides and ribonucleotides null map00860 Porphyrin and chlorophyll metabolism; map01100 Metabolic pathways
C17867 Cyclomorusin HMDB0030687 5481969 1242613 C17867 NA CC(=CC1C2=C(C3=C(O1)C=C(C=C3)O)OC4=C5C=CC(OC5=CC(=C4C2=O)O)(C)C)C Phenylpropanoids and polyketides Flavonoids Pyranoflavonoids NULL
C05983 Propinol adenylate HMDB0006806 440863 62415 C05983 NA CCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides map00640 Propanoate metabolism
C05472 Tetrahydrocortisol HMDB0000949 44725717 NA C05472 1914 C[C@]12CC[C@H](CC1CCC3C2[C@H](C[C@]4(C3CC[C@@]4(C(=O)CO)O)C)O)O null null null map00140 Steroid hormone biosynthesis
HMDB0032549 N-Undecylbenzenesulfonic acid HMDB0032549 38222 NA NA CCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O Benzenoids Benzene and substituted derivatives Benzenesulfonic acids and derivatives NA
C07427 Perphenazine HMDB0014988 4748 8028 C07427 NA C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO Organoheterocyclic compounds Benzothiazines Phenothiazines NULL
C00307 Citicoline HMDB0001413 13804 16436 C00307 6229 C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine ribonucleotides map00564 Glycerophospholipid metabolism; map01100 Metabolic pathways; map05231 Choline metabolism in cancer
HMDB0034687 Resveratrol 4'-(6-galloylglucoside) HMDB0034687 NA NA NA OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O Phenylpropanoids and polyketides Stilbenes Stilbene glycosides NA
HMDB0011475 LysoPE(0:0/18:1(11Z)) HMDB0011475 53480924 NA NA CCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0031948 1-Isobutanol HMDB0031948 NA NA NA COC(=O)NCC1=CC=C(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C=C1 Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
HMDB0029340 Ceanothine C HMDB0029340 NA NA NA CC(C)CC1NC(=O)C(NC(=O)C2CCCN2C)C(OC2=CC=C(C=C2)\C=C/NC1=O)C(C)C Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0030053 Neogrifolin HMDB0030053 9874426 NA NA CC1=CC(=CC(=C1C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)O Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids NA
HMDB0035779 Armillane HMDB0035779 NA NA NA CC1=CC(C(=O)OC2CC3(C)C4CC(C)(C)CC4C(O)C(CO)C23O)=C(O)C=C1O Lipids and lipid-like molecules Prenol lipids Diterpenoids NA
C01136 S-Acetyldihydrolipoamide HMDB0001526 1076 16807 C01136 6299 CC(=O)SC(CCCCC(=O)N)CCS Lipids and lipid-like molecules Fatty Acyls Fatty amides NULL
HMDB0029507 Mulberrin HMDB0029507 5481958 544480 NA CC(=CCC1=C(C=C(C2=C1OC(=C(C2=O)CC=C(C)C)C3=C(C=C(C=C3)O)O)O)O)C Phenylpropanoids and polyketides Flavonoids Flavones NA
HMDB0029250 Pigment A aglycone HMDB0029250 NA NA NA COC1=CC(=CC(OC)=C1O)C1=[O+]C2=C3C(OC(=CC3=C1O)C1=CC=C(O)C=C1)=CC(O)=C2 Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids NA
C08604 Cyanidin 3-glucoside HMDB0030684 4481259 28426 C08604 NA C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides map00942 Anthocyanin biosynthesis
HMDB0011483 LysoPE(0:0/20:2(11Z,14Z)) HMDB0011483 53480932 131692 NA CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0011494 LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z)) HMDB0011494 53480943 NA NA CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](CO)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0011484 LysoPE(0:0/20:3(11Z,14Z,17Z)) HMDB0011484 53480933 NA NA CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0014607 Sodium Tetradecyl Sulfate HMDB0014607 5248 782257 NA CCCCCCCCCCCCCCOS(=O)(=O)O Organic acids and derivatives Organic sulfuric acids and derivatives Sulfuric acid esters NA
HMDB0031977 Methyl (9Z)-6'-oxo-6,5'-diapo-6-carotenoate HMDB0031977 NA NA NA COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(C)=O Lipids and lipid-like molecules Prenol lipids Diterpenoids NA
C00777 All-trans-retinoic acid HMDB0001852 444795 15367 C00777 2277 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C Lipids and lipid-like molecules Prenol lipids Retinoids map00830 Retinol metabolism; map01100 Metabolic pathways; map04659 Th17 cell differentiation; map04672 Intestinal immune network for IgA production; map05200 Pathways in cancer; map05222 Small cell lung cancer; map05223 Non-small cell lung cancer; map05226 Gastric cancer
HMDB0034496 6,10,14-Trimethyl-2-methylenepentadecanal HMDB0034496 23286475 NA NA CC(C)CCCC(C)CCCC(C)CCCC(=C)C=O Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids NA
HMDB0031754 Nequinate HMDB0031754 26383 NA NA CCCCC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)OC)OCC3=CC=CC=C3 Organoheterocyclic compounds Quinolines and derivatives Quinolones and derivatives NA
C07010 Fluphenazine HMDB0014761 3372 5123 C07010 NA C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO Organoheterocyclic compounds Benzothiazines Phenothiazines NULL
C07251 Nalbuphine HMDB0014982 5311304 7454 C07251 NA C1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O Benzenoids Phenanthrenes and derivatives null NULL
HMDB0014758 Triamcinolone HMDB0014758 31307 481691 NA C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@@]43C)F)O Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids NA
C08157 Testosterone enanthate HMDB0005814 9416 9464 C08157 NA CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C Lipids and lipid-like molecules Steroids and steroid derivatives Steroid esters NULL
HMDB0011493 LysoPE(0:0/22:4(7Z,10Z,13Z,16Z)) HMDB0011493 53480942 NA NA CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
C10482 1-(4-Hydroxy-3-methoxyphenyl)-3-decanone HMDB0030801 94378 NA C10482 NA CCCCCCCC(=O)CCC1=CC(=C(C=C1)O)OC Benzenoids Benzene and substituted derivatives Phenols and derivatives NULL
C02197 Testolactone HMDB0015031 13769 9460 C02197 NA C[C@]12CC[C@H]3[C@H]([C@@H]1CCC(=O)O2)CCC4=CC(=O)C=C[C@]34C Organoheterocyclic compounds Naphthopyrans null NULL
C00712 Oleic acid HMDB0000207 445639 16196 C00712 190 CCCCCCCC/C=C\CCCCCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates map00061 Fatty acid biosynthesis; map00073 Cutin, suberine and wax biosynthesis; map01040 Biosynthesis of unsaturated fatty acids; map01060 Biosynthesis of plant secondary metabolites; map04212 Longevity regulating pathway - worm
HMDB0011482 LysoPE(0:0/20:1(11Z)) HMDB0011482 53480931 NA NA CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0002815 LysoPC(18:1(9Z)) HMDB0002815 16081932 NA C04230 184 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphocholines NA
C13766 Emopamil HMDB0012224 71225 388533 C13766 NA CC(C)C(CCCN(C)CCC1=CC=CC=C1)(C#N)C2=CC=CC=C2 Benzenoids Benzene and substituted derivatives Phenylbutylamines NULL
HMDB0011481 LysoPE(0:0/20:0) HMDB0011481 53480930 131691 NA CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
C06426 Gamma-Linolenic acid HMDB0003073 5280933 28661 C06426 386 CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives map00591 Linoleic acid metabolism; map01040 Biosynthesis of unsaturated fatty acids; map01100 Metabolic pathways
HMDB0034381 Methyl linoleate HMDB0034381 5284421 69080 NA CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives NA
HMDB0000572 Desmosine HMDB0000572 53477704 37628 5554 C1=C(C(=C(C=[N+]1CCCCC(C(=O)O)N)CC[C@@H](C(=O)O)N)CCC[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N Organic acids and derivatives Carboxylic acids and derivatives Tetracarboxylic acids and derivatives NA
C00762 Cortisone HMDB0002802 222786 16962 C00762 271 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxysteroids map00140 Steroid hormone biosynthesis; map01100 Metabolic pathways; map04960 Aldosterone-regulated sodium reabsorption; map05200 Pathways in cancer; map05215 Prostate cancer; map07225 Glucocorticoid and mineralocorticoid receptor agonists/antagonists
C07861 Tridihexethyl HMDB0014648 20299 9701 C07861 NA CC[N+](CC)(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O Organic nitrogen compounds Organonitrogen compounds Amines NULL
HMDB0033950 Parakmerin A HMDB0033950 NA NA NA COC1=C(O)C=CC(=C1)C1OC2=C(C=C(\C=C\C)C=C2)C1C Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids null NA
C00143 5,10-Methylene-THF HMDB0001533 439175 15636 C00143 6304 C1[C@@H]2CN(CN2C3=C(N1)NC(=NC3=O)N)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives map00260 Glycine, serine and threonine metabolism; map00670 One carbon pool by folate; map00680 Methane metabolism; map00720 Carbon fixation pathways in prokaryotes; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01200 Carbon metabolism; map01523 Antifolate resistance
C00415 Dihydrofolic acid HMDB0001056 98792 15633 C00415 5970 C1C(=NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00670 One carbon pool by folate; map00790 Folate biosynthesis; map01061 Biosynthesis of phenylpropanoids; map01100 Metabolic pathways; map01523 Antifolate resistance
HMDB0030684 Cyanidin 3-glucoside HMDB0030684 4481259 28426 C08604 NA C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides map00942 Anthocyanin biosynthesis
HMDB0005773 Endomorphin-1 HMDB0005773 5311080 239449 NA C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0036013 (R)-3,4-Dihydro-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol HMDB0036013 9842235 NA NA CC(=CCC/C(=C/CC/C(=C/CCC1CCC2=C(O1)C=CC(=C2)O)/C)/C)C Lipids and lipid-like molecules Prenol lipids Diterpenoids NA
C06914 Clindamycin HMDB0015321 29029 3745 C06914 NA CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)C(C)Cl null null null NULL
HMDB0011511 LysoPE(20:0/0:0) HMDB0011511 52925131 131690 NA CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
HMDB0013058 S-(9-deoxy-delta9,12-PGD2)-glutathione HMDB0013058 53481598 NA NA CCCCC[C@@H](C/C=C/1\[C@@H](C(CC1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N)C/C=C\CCCC(=O)O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0030340 Piperolein B HMDB0030340 21580213 534866 NA C1CCN(CC1)C(=O)CCCCCC/C=C/C2=CC3=C(C=C2)OCO3 Organoheterocyclic compounds Benzodioxoles null NA
C00440 5-Methyltetrahydrofolic acid HMDB0001396 439234 15641 C00440 6215 CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)O)C(=O)O null null null map00670 One carbon pool by folate; map00720 Carbon fixation pathways in prokaryotes; map01100 Metabolic pathways; map01120 Microbial metabolism in diverse environments; map01200 Carbon metabolism; map01523 Antifolate resistance
C01595 Linoleic acid HMDB0000673 5280450 17351 C01595 191 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives map00591 Linoleic acid metabolism; map01040 Biosynthesis of unsaturated fatty acids; map01060 Biosynthesis of plant secondary metabolites; map01100 Metabolic pathways
HMDB0010343 1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glucopyranuronic acid HMDB0010343 163959 NA C03033 NA CC(C)CC1=CC=C(C=C1)C(C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
HMDB0002082 Bisnorcholic acid HMDB0002082 9547705 NA NA C[C@@H]([C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C)C(=O)O Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives NA
HMDB0007850 LysoPA(0:0/18:0) HMDB0007850 53478600 NA C00416 NA CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)O Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates NA
C11158 Topotecan HMDB0015164 60700 63632 C11158 NA CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=C(C5=C4)CN(C)C)O)O Alkaloids and derivatives Camptothecins null map04976 Bile secretion
C05139 16a-Hydroxydehydroisoandrosterone HMDB0000352 102030 27771 C05139 5341 C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4=O)O)C)O Lipids and lipid-like molecules Steroids and steroid derivatives Androstane steroids map00140 Steroid hormone biosynthesis
HMDB0013308 Stearoylglycine HMDB0013308 95070 479320 NA CCCCCCCCCCCCCCCCCC(=O)NCC(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NA
HMDB0008856 PE(14:1(9Z)/15:0) HMDB0008856 52924130 NA C00350 NA CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OCCN Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoethanolamines NA
C09308 Chalepin acetate HMDB0030666 26948 NA C09308 NA CC(=O)OC(C)(C)C1CC2=C(O1)C=C3C(=C2)C=C(C(=O)O3)C(C)(C)C=C null null null NULL
C01699 Gibberellin A3 HMDB0003559 9819600 682248 C01699 6954 C[C@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O Lipids and lipid-like molecules Prenol lipids Diterpenoids map00904 Diterpenoid biosynthesis; map01110 Biosynthesis of secondary metabolites
C08022 Sufentanil HMDB0014846 41693 9316 C08022 NA CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC Benzenoids Benzene and substituted derivatives Anilides NULL
C07661 Gatifloxacin HMDB0015178 5379 5280 C07661 NA CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F Organoheterocyclic compounds Quinolines and derivatives Quinoline carboxylic acids NULL
C00504 Folic acid HMDB0000121 6037 27470 C00504 246 C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues map00670 One carbon pool by folate; map00790 Folate biosynthesis; map01061 Biosynthesis of phenylpropanoids; map01100 Metabolic pathways; map01523 Antifolate resistance; map04976 Bile secretion; map04977 Vitamin digestion and absorption
HMDB0003556 Chitobiose HMDB0003556 22833609 NA C01674 6953 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)O)O Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
HMDB0005036 Fluticasone HMDB0005036 22833648 NA NA CCC(=O)O[C@@]1([C@@H](CC2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCF Lipids and lipid-like molecules Steroids and steroid derivatives Steroid esters NA
C14034 Piperacillin HMDB0014464 43672 8232 C14034 NA CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues NULL
C00219 Arachidonic acid HMDB0001043 444899 15843 C00219 193 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates map00590 Arachidonic acid metabolism; map00591 Linoleic acid metabolism; map01040 Biosynthesis of unsaturated fatty acids; map01100 Metabolic pathways; map04216 Ferroptosis; map04217 Necroptosis; map04270 Vascular smooth muscle contraction; map04611 Platelet activation; map04664 Fc epsilon RI signaling pathway; map04666 Fc gamma R-mediated phagocytosis; map04723 Retrograde endocannabinoid signaling; map04726 Serotonergic synapse; map04730 Long-term depression; map04745 Phototransduction - fly; map04750 Inflammatory mediator regulation of TRP channels; map04912 GnRH signaling pathway; map04913 Ovarian steroidogenesis; map04921 Oxytocin signaling pathway; map04923 Regulation of lipolysis in adipocytes; map04925 Aldosterone synthesis and secretion; map05140 Leishmaniasis; map05146 Amoebiasis; map07034 Eicosanoids
HMDB0033237 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside HMDB0033237 NA NA NA CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(O1)C(O)CO Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates NA
C07908 Mycophenolate mofetil HMDB0014826 5281078 8764 C07908 NA CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)OC Organoheterocyclic compounds Isocoumarans Isobenzofuranones NULL
Datasets
Models
