Metabolites
Displaying metabolites 3701 - 3725 of 3755 in total
| Metabolite ID | Name CAS Number | IUPAC Name | SMPDB Pathways | Weight Formula | Structure |
|---|---|---|---|---|---|
| ECMDB24077 | (R)-b-aminoisobutyric acid | (2R)-3-amino-2-methylpropanoic acid | 103.1198 C4H9NO2 |  | |
| ECMDB24009 | (R)-3-Hydroxybutyric acid | (3R)-3-hydroxybutanoic acid | 104.1045 C4H8O3 |  | |
| ECMDB20014 | (R)-3-Hydroxy-3-methyl-2-oxopentanoate | (3R)-3-hydroxy-3-methyl-2-oxopentanoic acid | 146.1412 C6H10O4 |  | |
| ECMDB04059 | (R)-2,3-Dihydroxy-isovalerate | (2R)-2,3-dihydroxy-3-methylbutanoic acid | 134.1305 C5H10O4 |  | |
| ECMDB12140 | (R) 2,3-Dihydroxy-3-methylvalerate 562-43-6 | (2R,3R)-2,3-dihydroxy-3-methylpentanoic acid | 148.1571 C6H12O4 |  | |
| ECMDB24179 | (KDO)2-lipid A | (2R,4R,5R,6R)-2-{[(2R,4R,5R,6R)-2-carboxylato-6-[(1R)-1,2-dihydroxyethyl]-2-{[(2R,3S,4R,5R,6R)-5-{[(3R)-3-(dodecanoyloxy)-1-oxidotetradecylidene]amino}-6-{[(2R,3S,4R,5R,6R)-3-hydroxy-5-{[(3R)-3-hydroxy-1-oxidotetradecylidene]amino}-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-6-(phosphonooxy)oxan-2-yl]methoxy}-3-(phosphonatooxy)-4-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-2-yl]methoxy}-5-hydroxyoxan-4-yl]oxy}-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylate | 2232.704 C110H196N2O39P2 |  | |
| ECMDB24219 | (heptosyl)2-Kdo2-lipid A | 6-(1,2-dihydroxyethyl)-4-{[6-(1,2-dihydroxyethyl)-4,5-dihydroxy-2-(prop-1-en-2-yl)oxan-2-yl]oxy}-5-{[6-(1,2-dihydroxyethyl)-4-{[6-(1,2-dihydroxyethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-2-({5-[3-(dodecanoyloxy)tetradecanamido]-6-{[3-hydroxy-5-(3-hydroxytetradecanamido)-4-[(3-hydroxytetradecanoyl)oxy]-6-(phosphonatooxy)oxan-2-yl]methoxy}-3-(phosphonatooxy)-4-{[3-(tetradecanoyloxy)tetradecanoyl]oxy}oxan-2-yl}methoxy)oxane-2-carboxylate | 2614.101 C126H225N2O49P2 |  | |
| ECMDB23848 | (E)-4-(Trimethylammonio)but-2-enoyl-CoA | [(2E)-4-({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-oxobut-2-en-1-yl]trimethylazanium | 893.71 C28H48N8O17P3S |  | |
| ECMDB23032 | (E)-3-(Methoxycarbonyl)pent-2-enedioate | (2E)-3-(methoxycarbonyl)pent-2-enedioic acid | 188.1348 C7H8O6 |  | |
| ECMDB23940 | (9Z)-Hexadec-9-enoyl-KDO2-lipid IV(A) | (2R,4R,5R,6R)-4-{[(2R,4R,5R,6R)-2-carboxy-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxan-2-yl]oxy}-6-[(1R)-1,2-dihydroxyethyl]-2-{[(2R,3S,4R,5R,6R)-5-[(3R)-3-[(9Z)-hexadec-9-enoyloxy]tetradecanamido]-6-{[(2R,3S,4R,5R,6R)-3-hydroxy-5-[(3R)-3-hydroxytetradecanamido]-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-6-(phosphonooxy)oxan-2-yl]methoxy}-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-3-(phosphonooxy)oxan-2-yl]methoxy}-5-hydroxyoxane-2-carboxylic acid | 2082.48 C100H182N2O38P2 |  | |
| ECMDB23956 | (6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide phosphate | (6S)-1-[(2R,3R,4S,5R)-5-[({[({[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-6-hydroxy-1,4,5,6-tetrahydropyridine-3-carboximidic acid | 763.4362 C21H32N7O18P3 |  | |
| ECMDB23170 | (6S)-6-beta-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide | [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R)-5-[(2S)-5-carbamoyl-2-hydroxy-1,2,3,4-tetrahydropyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid | 683.4563 C21H31N7O15P2 |  | |
| ECMDB24233 | (4S)-4-hydroxy-2,3-pentanedione 5-phosphate | 4-hydroxy-5-(phosphonatooxy)pentane-2,3-dione | Quorum Sensing PW000836 | 210.079 C5H7O7P |  |
| ECMDB20011 | (4S)-4,6-Dihydroxy-2,5-dioxohexanoate | (4S)-4,6-dihydroxy-2,5-dioxohexanoic acid | Collection of Reactions without pathways PW001891 | 176.1241 C6H8O6 |  |
| ECMDB21640 | (4S)-4,5-Dihydroxypentan-2,3-dione | (4S)-4,5-dihydroxypentane-2,3-dione | 132.1146 C5H8O4 |  | |
| ECMDB23150 | (3Z)-Dodec-3-enoyl-CoA 2152-91-2 | {[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(3Z)-dodec-3-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid | fatty acid oxidation (laurate) PW001020 | 947.821 C33H56N7O17P3S |  |
| ECMDB23162 | (3S)-Citryl-CoA | 2-[2-({2-[(3-{[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)-2-oxoethyl]-2-hydroxybutanedioic acid | 941.642 C27H42N7O22P3S |  | |
| ECMDB20010 | (3S)-3-Hydroxyadipyl-CoA | (4S)-6-({2-[(3-{[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-hydroxy-6-oxohexanoic acid | Phenylalanine metabolism PW000921 | 911.659 C27H44N7O20P3S |  |
| ECMDB23875 | (3R)-3-Hydroxyacyl-[acyl-carrier protein] | 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one | 330.2889 C17H14O7 |  | |
| ECMDB23778 | (2S,4S)-4-Hydroxy-2,3,4,5-tetrahydrodipicolinate | (2S,4S)-4-hydroxy-2,3,4,5-tetrahydropyridine-2,6-dicarboxylic acid | Lysine biosynthesis PW000771 | 185.136 C7H7NO5 |  |
| ECMDB23051 | (2S,3S)-2-hydroxybutane-1,2,3-tricarboxylate | (1S,2S)-2-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid | Propanoate metabolism PW000940 | 206.1501 C7H10O7 |  |
| ECMDB20009 | (2S,3S)-2,3-Dihydro-2,3-dihydroxybenzoate | (5S,6S)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid | Biosynthesis of siderophore group nonribosomal peptides PW000760 | 156.136 C7H8O4 |  |
| ECMDB21099 | (2R,4S)-2-Methyl-2,4-dihydroxydihydrofuran-3-one 869748-29-8 | (2R,4S)-2,4-dihydroxy-2-methyloxolan-3-one | Quorum Sensing PW000836 | 132.1146 C5H8O4 |  |
| ECMDB21368 | (2R,4S)-2-Methyl-2,3,3,4-tetrahydroxytetrahydrofuran | (2S,4R)-2-methyloxolane-2,3,3,4-tetrol | 150.13 C5H10O5 |  | |
| ECMDB23052 | (2R,3S)-2-Hydroxybutane-1,2,3-tricarboxylate | (1S,2R)-2-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid | 206.1501 C7H10O7 |  |