Metabolites
Displaying metabolites 2676 - 2700 of 3755 in total
Metabolite ID | Name CAS Number | IUPAC Name | SMPDB Pathways | Weight Formula | Structure |
---|---|---|---|---|---|
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 | |
ECMDB20231 | 3-Hydroxyadipyl-CoA | 6-({2-[(3-{[4-({[({[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 | Phenylethylamine metabolism PW002027 | 911.659 C27H44N7O20P3S | |
ECMDB20541 | D-Carnitinyl-CoA | [4-({2-[(3-{[4-({[({[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-hydroxy-4-oxobutyl]trimethylazanium | L-carnitine degradation I PW002037 | 911.726 C28H50N8O18P3S | |
ECMDB20578 | L-Carnitinyl-CoA | [4-({2-[(3-{[4-({[({[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-hydroxy-4-oxobutyl]trimethylazanium | 911.726 C28H50N8O18P3S | ||
ECMDB23341 | CDP-DG(14:0/15:0) | {[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(2R)-2-(pentadecanoyloxy)-3-(tetradecanoyloxy)propoxy]phosphoryl}oxy)phosphinic acid | 912.005 C41H75N3O15P2 | ||
ECMDB23349 | CDP-DG(15:0/14:0) | {[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(2R)-3-(pentadecanoyloxy)-2-(tetradecanoyloxy)propoxy]phosphoryl}oxy)phosphinic acid | phospholipid biosynthesis CDP-DG(15:0/14:0) PW001807 | 912.005 C41H75N3O15P2 | |
ECMDB24730 | CDP-DG(19:iso/10:0) | {[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2R)-2-(decanoyloxy)-3-[(17-methyloctadecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)phosphinic acid | phospholipid biosynthesis (CL(19:iso/10:0/19:iso/10:0)) PW001998 | 912.005 C41H75N3O15P2 | |
ECMDB20120 | Benzoyl acetyl-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-3-phenylpropanoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid | 913.677 C30H42N7O18P3S | ||
ECMDB24663 | CDP-DG(14:0(3-OH)/14:0) | {[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(2R)-3-[(3-hydroxytetradecanoyl)oxy]-2-(tetradecanoyloxy)propoxy]phosphoryl}oxy)phosphinic acid | phospholipid biosynthesis (CL(14:0(3-OH)/14:0/14:0/14:0)) PW001937 | 913.977 C40H73N3O16P2 | |
ECMDB24668 | CDP-DG(14:0/14:0(3-OH)) | {[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(2R)-2-[(3-hydroxytetradecanoyl)oxy]-3-(tetradecanoyloxy)propoxy]phosphoryl}oxy)phosphinic acid | phospholipid biosynthesis (CL(14:0/14:0(3-OH)/14:0/14:0)) PW001944 | 913.977 C40H73N3O16P2 | |
ECMDB20194 | Siroheme 52553-42-1 | 3-[(4S,5S,9S,10S,11Z,16Z)-9,15,19-tris(2-carboxyethyl)-5,10,14,20-tetrakis(carboxymethyl)-5,10-dimethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1(20),2,6(25),7,11,13(24),14,16,18-nonaen-4-yl]propanoic acid | 916.661 C42H44FeN4O16 | ||
ECMDB20611 | trans-Delta2, cis-delta4-decadienoyl-CoA | 4-({[({[(2S,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-N-(2-{[2-(deca-2,4-dienoylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-hydroxy-3,3-dimethylbutanimidic acid | 917.75 C31H50N7O17P3S | ||
ECMDB20261 | cis-dihydrodiol derivative of phenylacetyl-CoA | 4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-N-(2-{[2-({2-[(1R,6S)-1,6-dihydroxycyclohexa-2,4-dien-1-yl]acetyl}sulfanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-hydroxy-3,3-dimethylbutanimidic acid | 919.681 C29H44N7O19P3S | ||
ECMDB23158 | 3-Oxo-5,6-dehydrosuberyl-CoA semialdehyde | (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)-N-{2-[(2-{[(5Z)-3,8-dioxooct-5-enoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}-2-hydroxy-3,3-dimethylbutanimidic acid | 919.681 C29H44N7O19P3S | ||
ECMDB20108 | 7-Methyl-3-oxo-6-octenoyl-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-[(7-methyl-3-oxooct-6-enoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid | 919.725 C30H48N7O18P3S | ||
ECMDB03948 | (2E)-Decenoyl-CoA 10018-95-8 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(2E)-dec-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid | 919.768 C31H52N7O17P3S | ||
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 | ||
ECMDB21249 | N-Acetyl-D-glucosamine(anhydrous)N-Acetylmuramyl-tetrapeptide | 2-amino-6-{[4-carboxy-2-({2-[(2-{[(3R,4R)-2-{[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(1-hydroxyethylidene)amino]-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy}-1-hydroxypropylidene)amino]-1-hydroxypropylidene}amino)-1-hydroxybutylidene]amino}-6-[(1-carboxyethyl)-C-hydroxycarbonimidoyl]hexanoic acid | 921.8993 C37H59N7O20 | ||
ECMDB24679 | CDP-DG(15:0cyclo/15:0cyclo) | {[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2R)-2,3-bis({[8-(2-butylcyclopropyl)octanoyl]oxy})propoxy](hydroxy)phosphoryl}oxy)phosphinic acid | phospholipid biosynthesis CL(15:0cyclo/15:0cyclo/14:0/16:0) PW001059 | 922.0 C42H73N3O15P2 | |
ECMDB23337 | CDP-DG(12:0/18:1(9Z)) | {[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2R)-3-(dodecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)phosphinic acid | 924.016 C42H75N3O15P2 | ||
ECMDB23343 | CDP-DG(14:0/16:1(9Z)) | {[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(tetradecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)phosphinic acid | phospholipid biosynthesis CL(16:0/14:0/14:0/16:1(9Z)) PW001206 | 924.016 C42H75N3O15P2 | |
ECMDB23364 | CDP-DG(16:1(9Z)/14:0) | {[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-(tetradecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)phosphinic acid | phospholipid biosynthesis CL(16:1(9Z)/14:0/16:1(9Z)/14:0) PW001419 | 924.016 C42H75N3O15P2 | |
ECMDB23377 | CDP-DG(18:1(9Z)/12:0) | {[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2R)-2-(dodecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)phosphinic acid | phospholipid biosynthesis (PE(18:1(9Z)/12:0(3-OH))) PW001780 | 924.016 C42H75N3O15P2 | |
ECMDB24709 | CDP-DG(18:1(11Z)/12:0) | {[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2R)-2-(dodecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)phosphinic acid | phospholipid biosynthesis (CL(18:1(11Z)/12:0/12:0/12:0)) PW001977 | 924.016 C42H75N3O15P2 | |
ECMDB24637 | CDP-DG(10:0(3-OH)/19:0cycv8c) | {[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2R)-2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-3-[(3-hydroxydecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)phosphinic acid | phospholipid biosynthesis (CL(10:0(3-OH)/19:0cycv8c/10:0(3-OH)/19:0cycv8c)) PW001908 | 925.988 C41H73N3O16P2 |