Metabolites
Displaying metabolites 376 - 400 of 3755 in total
| Metabolite ID | Name CAS Number | IUPAC Name | SMPDB Pathways | Weight Formula | Structure |
|---|---|---|---|---|---|
| ECMDB20075 | 3-Oxo-OPC6-CoA | 4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-(2-{[2-({3-oxo-6-[(1S,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]hexanoyl}sulfanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)butanimidic acid | 1029.878 C37H58N7O19P3S |  | |
| ECMDB23793 | 3-Oxoacyl-CoA | (3S)-2-oxo-3-phenylbutanoic acid | Fatty acid metabolism PW000796 | 178.187 C10H10O3 |  |
| ECMDB23862 | 3-Oxoacyl-[acyl-carrier protein] | (4R)-4,5-dihydroxy-2-oxopentanoic acid | 148.114 C5H8O5 |  | |
| ECMDB20077 | 3-Oxoadipyl-CoA | 6-({2-[(3-{[(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-4,6-dioxohexanoic acid | Phenylalanine metabolism PW000921 | 907.67 C28H44N7O19P3S |  |
| ECMDB03939 | 3-Oxodecanoyl-CoA 50411-91-1 | {[(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-oxodecanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 935.767 C31H52N7O18P3S |  | |
| ECMDB03937 | 3-Oxododecanoyl-CoA 78303-19-2 | {[(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-oxododecanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 963.82 C33H56N7O18P3S |  | |
| 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 |  | |
| ECMDB03943 | 3-Oxohexanoyl-CoA 19774-86-8 | {[(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-oxohexanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 879.661 C27H44N7O18P3S |  | |
| ECMDB21170 | 3-Oxooctadecanoyl-CoA 86370-20-9 | {[(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-[(3-oxooctadecanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | fatty acid oxidation (steareate) PW001024 | 1045.964 C39H66N7O18P3S |  |
| ECMDB03941 | 3-Oxooctanoyl-CoA 54684-64-9 | {[(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-oxooctanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 907.714 C29H48N7O18P3S |  | |
| ECMDB03935 | 3-Oxotetradecanoyl-CoA 122364-86-7 | {[(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-[(3-oxotetradecanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 991.873 C35H60N7O18P3S |  | |
| ECMDB21645 | 3-Phospho-D-glycerate | (2R)-2-hydroxy-3-(phosphonooxy)propanoic acid | 186.0572 C3H7O7P |  | |
| ECMDB23141 | 3-phospho-D-glyceroyl phosphate | {[(2R)-2-hydroxy-3-(phosphonooxy)propanoyl]oxy}phosphonic acid | 266.0371 C3H8O10P2 |  | |
| ECMDB04131 | 3-Phosphoglycerate 820-11-1 | 2-hydroxy-3-(phosphonooxy)propanoic acid | Gluconeogenesis from L-malic acid PW000819 Secondary Metabolites: cysteine biosynthesis from serine PW000977 cysteine biosynthesis PW000800 fructose metabolism PW000913 More...glycerol metabolism PW000914 glycerol metabolism II PW000915 glycerol metabolism III (sn-glycero-3-phosphoethanolamine) PW000916 glycerol metabolism IV (glycerophosphoglycerol) PW000917 glycerol metabolism V (glycerophosphoserine) PW000918 glycolate and glyoxylate degradation PW000827 glycolysis and pyruvate dehydrogenase PW000785 serine biosynthesis and metabolism PW000809 glycolate and glyoxylate degradation II PW002021 | 186.0572 C3H7O7P |  |
| ECMDB24054 | 3-Phosphoglyceric acid | 2-hydroxy-3-(phosphonooxy)propanoic acid |  | ||
| ECMDB00996 | 3-Sulfinoalanine 1115-65-7 | [({[(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 | 153.157 C3H7NO4S |  | |
| ECMDB01405 | 3-Sulfinylpyruvic acid | 2-oxo-3-sulfinopropanoic acid | 151.118 C3H3O5S |  | |
| ECMDB21002 | 3-Sulfopyruvic acid 98022-26-5 | 2-oxo-3-sulfopropanoic acid | Collection of Reactions without pathways PW001891 | 168.125 C3H4O6S |  |
| 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 |  | ||
| ECMDB02159 | 3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA 2461-62-3 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-({6-[(2S,5R,7S,9R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-2-methylheptanoyl}sulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid | 1184.171 C48H80N7O19P3S |  | |
| 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 |  | ||
| ECMDB24213 | 4'-phosphopantetheine | 2,3,3-trimethyl-4-(phosphonatooxy)-N-{2-[(2-sulfanylethyl)carbamoyl]ethyl}butanamide |  | ||
| ECMDB20096 | 4,5-Dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene | (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({11-hydroxypentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-10-yl}sulfanyl)ethyl]-C-hydroxycarbonimidoyl}butanoic acid | 575.632 C30H29N3O7S |  | |
| ECMDB00528 | 4,5-Dihydroorotic acid 155-54-4 | 2,6-dioxo-1,3-diazinane-4-carboxylic acid | Pyrimidine metabolism PW000942 | 158.1121 C5H6N2O4 |  |
| ECMDB20550 | 4,5-Dihydroxy-2,3-pentanedione | (4R)-4,5-dihydroxypentane-2,3-dione | Quorum Sensing PW000836 | 132.1146 C5H8O4 |  |