Metabolites
Displaying metabolites 3151 - 3175 of 3755 in total
| Metabolite ID | Name CAS Number | IUPAC Name | SMPDB Pathways | Weight Formula | Structure |
|---|---|---|---|---|---|
| ECMDB06555 | DIMP 3393-18-8 | {[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid | 332.2066 C10H13N4O7P |  | |
| ECMDB06511 | 2,3-Diketo-L-gulonate | (4S,5S)-4,5,6-trihydroxy-2,3-dioxohexanoic acid | Ascorbate metabolism PW000793 | 192.1235 C6H8O7 |  |
| ECMDB06503 | Phenylacetyl-CoA 7532-39-0 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2-phenylacetyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 885.667 C29H42N7O17P3S |  | |
| ECMDB06488 | N-Acetyl-L-glutamate 5-semialdehyde 13074-21-0 | (2S)-2-acetamido-5-oxopentanoic acid | 173.1665 C7H11NO4 |  | |
| ECMDB06471 | Methylisocitric acid | 1-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid | Propanoate metabolism PW000940 | 206.1501 C7H10O7 |  |
| ECMDB06458 | D-Lactaldehyde 3946-09-6 | (2R)-2-hydroxypropanal | Propanoate metabolism PW000940 | 74.0785 C3H6O2 |  |
| ECMDB06456 | N-Acetyl-L-glutamyl 5-phosphate 15383-57-0 | (2S)-2-acetamido-5-oxo-5-(phosphonooxy)pentanoic acid | 269.1458 C7H12NO8P |  | |
| ECMDB06454 | L-2-Amino-3-oxobutanoic acid | (2S)-2-amino-3-oxobutanoic acid | 117.1033 C4H7NO3 |  | |
| ECMDB06404 | Decanoyl-CoA (N-C10:0CoA) 1264-57-9 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-(decanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid | 921.783 C31H54N7O17P3S |  | |
| ECMDB06402 | 3-Oxohexadecanoyl-CoA 34619-89-1 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxohexadecanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 1019.926 C37H64N7O18P3S |  | |
| ECMDB06357 | Cis-2-Methylaconitate 6061-93-4 | (1Z)-1-methylprop-1-ene-1,2,3-tricarboxylic acid | Propanoate metabolism PW000940 | 188.1348 C7H8O6 |  |
| ECMDB06354 | Deoxythymidine diphosphate-L-rhamnose 2147-59-3 | {[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}({[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})phosphinic acid | Starch and sucrose metabolism PW000941 | 548.3296 C16H26N2O15P2 |  |
| ECMDB06343 | Selenocystathionine 2196-58-9 | 2-amino-4-[(2-amino-2-carboxyethyl)selanyl]butanoic acid | 269.16 C7H14N2O4Se |  | |
| ECMDB06334 | 3-Dehydro-L-gulonate | (2S,4R,5S)-2,4,5,6-tetrahydroxy-3-oxohexanoic acid | Ascorbate metabolism PW000793 | 194.1394 C6H10O7 |  |
| ECMDB06316 | Cob(II)alamin 14463-33-3 | λ⁴-cobalt(4+) ion 1-[(2S,3R,4S,5R)-4-[({[(2R)-1-({3-[(1R,3R,8S,13S,14S,18S,19S)-8,13-bis(2-carboximidatoethyl)-18-[2-(C-hydroxycarbonimidoyl)ethyl]-3,14,19-tris(C-hydroxycarbonimidoylmethyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaen-4-yl]-1-hydroxypropylidene}amino)propan-2-yl]oxy}(hydroxy)phosphoryl)oxy]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dimethyl-3H-1λ⁵,3-benzodiazol-1-ylium | 1330.3557 C62H89CoN13O14P |  | |
| ECMDB06273 | 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate | 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazole-4-carboxylic acid | 339.1959 C9H14N3O9P |  | |
| ECMDB06236 | Phenylacetaldehyde 122-78-1 | 2-phenylacetaldehyde | 120.1485 C8H8O |  | |
| ECMDB04662 | S-(Hydroxymethyl)glutathione 32260-87-0 | (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-[(hydroxymethyl)sulfanyl]ethyl]carbamoyl}butanoic acid | 337.349 C11H19N3O7S |  | |
| ECMDB04220 | Biotinyl-5'-AMP 4130-20-5 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({5-[(4S)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanoyl}oxy)phosphinic acid | Biotin metabolism PW000762 | 573.517 C20H28N7O9PS |  |
| ECMDB04195 | 5-L-Glutamyl-taurine | (2S)-2-amino-4-[(2-sulfoethyl)carbamoyl]butanoic acid | 254.261 C7H14N2O6S |  | |
| ECMDB04178 | Xylulose 5-phosphate 4212-65-1 | {[(2R,3S)-2,3,5-trihydroxy-4-oxopentyl]oxy}phosphonic acid | 230.1098 C5H11O8P |  | |
| ECMDB04172 | Urea 57-13-6 | urea | 60.0553 CH4N2O |  | |
| ECMDB04171 | UDP-Glucose 133-89-1 | [({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid | Lipopolysaccharide biosynthesis PW000831 More...Amino sugar and nucleotide sugar metabolism II PW000887 Amino sugar and nucleotide sugar metabolism III PW000895 colanic acid building blocks biosynthesis PW000951 galactose degradation/Leloir Pathway PW000884 lipopolysaccharide biosynthesis II PW001905 lipopolysaccharide biosynthesis III PW002059 trehalose biosynthesis I PW002088 | 566.3018 C15H24N2O17P2 |  |
| ECMDB04170 | UDP-N-Acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate | (4R)-N-[(1S,5R)-5-amino-1,5-dicarboxypentyl]-4-carboxy-4-{[(2S)-2-{[(2R)-2-{[(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)-3-[(1-oxidoethylidene)amino]oxan-4-yl]oxy}-1-hydroxypropylidene]amino}-1-oxidopropylidene]amino}butanecarboximidate | Lysine biosynthesis PW000771 | 1047.7583 C35H51N7O26P2 |  |
| ECMDB04169 | UDP-N-Acetylmuramoyl-L-alanyl-D-glutamate 17088-64-1 | (2R)-2-({2-[(2-{[(3R,4R,5S,6R)-2-({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-5-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-4-yl]oxy}-1-hydroxypropylidene)amino]-1-hydroxypropylidene}amino)pentanedioic acid | 459.41 C22H32Cl2N2O4 |  |