Metabolites
| Metabolite ID | Name CAS Number | IUPAC Name | SMPDB Pathways | Weight Formula | Structure |
|---|---|---|---|---|---|
| ECMDB23813 | 2-Polyprenylphenol | (C5H8)nC11H14O |  | ||
| ECMDB23820 | Demethylmenaquinol | (C5H8)nC15H16O2 |  | ||
| ECMDB23866 | Ribonucleoside | Pyrimidine metabolism PW000942 | (C10H12N5O6P)nC20H25N10O10P |  | |
| ECMDB23932 | Alkane-alpha,omega-diamine | (CH2)nH4N2 |  | ||
| ECMDB23933 | N-Acetyldiamine | (CH2)nC2H6N2O |  | ||
| ECMDB24035 | 3b-Allotetrahydrocortisol | 2-hydroxy-1-[(1S,2S,5S,7S,10S,11S,14R,15S,17S)-5,14,17-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]ethan-1-one |  | ||
| ECMDB24038 | 2-Hydroxy-3-methylpentanoic acid | (2R,3R)-2-hydroxy-3-methylpentanoic acid |  | ||
| ECMDB24039 | 3a,4b,7a-Trihydroxy-5b-cholanoic acid | (4S)-4-[(1S,2R,5R,6R,7S,9R,10S,11S,15R)-5,6,9-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid |  | ||
| ECMDB24046 | 2-Methylcitric acid | 2-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid |  | ||
| ECMDB24054 | 3-Phosphoglyceric acid | 2-hydroxy-3-(phosphonooxy)propanoic acid |  | ||
| ECMDB24064 | Diadenosine hexaphosphate | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid |  | ||
| ECMDB24074 | D-threo-Isocitric acid | (1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid |  | ||
| ECMDB24081 | Prostaglandin G2 | (5Z)-7-[(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid |  | ||
| ECMDB24084 | Etiocholanedione | (1S,2S,7R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,14-dione |  | ||
| ECMDB24092 | DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)/0:0) | (2S)-3-hydroxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate |  | ||
| ECMDB24181 | S-ureidoglycine | (2S)-2-amino-2-(carbamoylamino)acetic acid |  | ||
| ECMDB24189 | N-carbamoyl-L-aspartate | 2-[(C-hydroxycarbonimidoyl)amino]butanedioate |  | ||
| ECMDB24198 | 2-aminoprop-2-enoate | 2-aminoprop-2-enoate |  | ||
| ECMDB24201 | 1-(o-carboxyphenylamino)-1'-deoxyribulose 5'-phosphate | 2-{[(3R,4R)-3,4-dihydroxy-2-oxo-5-(phosphonatooxy)pentyl]amino}benzoate | Tryptophan metabolism PW000815 |  | |
| ECMDB24203 | 5-enolpyruvyl-shikimate 3-phosphate | (3R,4S,5R)-5-[(1-carboxylatoeth-1-en-1-yl)oxy]-4-hydroxy-3-(phosphonatooxy)cyclohex-1-ene-1-carboxylate | Chorismate biosynthesis PW000816 |  | |
| ECMDB24205 | D-tagatofuranose 6-phosphate | [3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl phosphate | Starch and sucrose metabolism PW000941 Amino sugar and nucleotide sugar metabolism I PW000886 Amino sugar and nucleotide sugar metabolism II PW000887 Amino sugar and nucleotide sugar metabolism III PW000895 More...D-allulose degradation PW000825 Galactitol and galactonate degradation PW000820 Gluconeogenesis from L-malic acid PW000819 Mannose Metabolism PW000822 colanic acid building blocks biosynthesis PW000951 inner membrane transport PW000786 peptidoglycan biosynthesis I PW000906 N-acetylneuraminate and N-acetylmannosamine and N-acetylglucosamine degradation PW002030 peptidoglycan biosynthesis I 2 PW002062 O-antigen building blocks biosynthesis PW002089 |  | |
| ECMDB24215 | UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetyl-α-D-glucosamine | N-[(2R,3R,4R,5S,6R)-2-({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxido-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-5-hydroxy-6-(hydroxymethyl)-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-3-yl]ethanecarboximidate |  | ||
| ECMDB24218 | alpha-Kdo-(2→6)-lipid IVA | (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-3-hydroxy-5-[(3R)-3-hydroxytetradecanamido]-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-6-(phosphonatooxy)oxan-2-yl]methoxy}-5-[(3R)-3-hydroxytetradecanamido]-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-3-(phosphonatooxy)oxan-2-yl]methoxy}oxane-2-carboxylate |  | ||
| ECMDB24220 | glucosyl-(heptosyl)2-Kdo2-lipid A | (2R,4R,5R,6R)-2-{[(2R,4R,5R,6R)-2-carboxylato-6-[(1R)-1,2-dihydroxyethyl]-5-{[(2R,3S,4S,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-4-{[(2R,3S,4S,5R,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-4-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-2-{[(2R,3S,4R,5R,6R)-5-[(3R)-3-(dodecanoyloxy)tetradecanamido]-6-{[(2R,3S,4R,5R,6R)-3-hydroxy-5-[(3R)-3-hydroxytetradecanamido]-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-6-(phosphonatooxy)oxan-2-yl]methoxy}-3-(phosphonatooxy)-4-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-2-yl]methoxy}oxan-4-yl]oxy}-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylate |  | ||
| ECMDB21110 | 1,4-alpha-D-glucan 9005-82-7 | (C12H20O11)nC2H6 |  |