Metabolites
Metabolite ID | Name CAS Number | IUPAC Name | SMPDB Pathways | Weight Formula | Structure |
---|---|---|---|---|---|
ECMDB21335 | Galactofuranosyl-glucosyl-O-acetyl-rhamanosyl-N-acetylglucosamyl-undecaprenyl diphosphate | N-(4-{[3-(acetyloxy)-4-{[6-({[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-2-{[hydroxy({[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl phosphonato]oxy})phosphoryl]oxy}-6-(hydroxymethyl)oxan-3-yl)ethanecarboximidate | 1640.898 C83H135NO27P2 | ||
ECMDB21236 | KDO-lipid IV(A) | (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-(phosphonooxy)oxan-2-yl]methoxy}-5-[(3R)-3-hydroxytetradecanamido]-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-3-(phosphonooxy)oxan-2-yl]methoxy}oxane-2-carboxylic acid | Lipopolysaccharide biosynthesis PW000831 | 1625.8836 C76H142N2O30P2 | |
ECMDB20401 | Lipid IVb | (3R)-3-hydroxy-N-[(2R,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-3-hydroxy-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-5-{[(3R)-1-oxido-3-(tetradecanoyloxy)tetradecylidene]amino}-6-(phosphonooxy)oxan-2-yl]methoxy}-6-(hydroxymethyl)-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-5-(phosphonatooxy)oxan-3-yl]tetradecanecarboximidate | Lipopolysaccharide biosynthesis PW000831 | 1612.0308 C82H152N2O24P2 | |
ECMDB02086 | Adenosylcobalamin 13870-90-1 | {[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}[(2R,3S,4S,8S,9S,14S,18R,19R)-4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-(2-{[(2R)-2-[({[(2R,3S,4R,5S)-5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]propyl]carbamoyl}ethyl)-2,3,6,8,13,13,16,18-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-20-yl]cobaltylium | 1580.5897 C72H101CoN18O17P | ||
ECMDB23844 | Lipid IIA | {[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-6-[({[(2R,3R,4S,5S)-5-amino-3,4-dihydroxyoxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]-3-hydroxy-5-[(3R)-3-hydroxytetradecanamido]-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-2-yl]methoxy}-2-(hydroxymethyl)-5-[(3R)-3-hydroxytetradecanamido]-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-3-yl]oxy}phosphonic acid | 1536.858 C73H139N3O26P2 | ||
ECMDB21297 | Undecaprenyl-diphospho N-acetylglucosamine-N-acetylmannosaminuronate-N-acetamido-4,6-dideoxy-D-galactose | N-[(2R,3R,4R,5S,6R)-5-{[(2R,3S,4R,5S,6S)-6-carboxy-5-{[(2R,3R,4S,5R,6R)-3,4-dihydroxy-6-methyl-5-[(1-oxidoethylidene)amino]oxan-2-yl]oxy}-4-hydroxy-3-[(1-oxidoethylidene)amino]oxan-2-yl]oxy}-4-hydroxy-2-{[hydroxy({[hydroxy({[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy})phosphoryl]oxy})phosphoryl]oxy}-6-(hydroxymethyl)oxan-3-yl]ethanecarboximidate | 1534.824 C79H129N3O22P2 | ||
ECMDB24913 | CL(19:iso/19:iso/19:iso/19:iso) | [(2R)-2,3-bis[(17-methyloctadecanoyl)oxy]propoxy][3-({[(2R)-2,3-bis[(17-methyloctadecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid | phospholipid biosynthesis (CL(19:iso/19:iso/19:iso/19:iso)) PW002009 | 1522.194 C85H166O17P2 | |
ECMDB24912 | CL(19:iso/19:0cycv8c/19:0/19:0) | [3-({[(2R)-2,3-bis(nonadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-3-[(17-methyloctadecanoyl)oxy]propoxy]phosphinic acid | phospholipid biosynthesis (CL(19:iso/19:0cycv8c/19:0/19:0)) PW002008 | 1520.178 C85H164O17P2 | |
ECMDB24353 | CL(18:1(11Z)/19:0/19:0/19:0) | [(2R)-3-({[(2R)-2,3-bis(nonadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-(nonadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid | phospholipid biosynthesis (CL(18:1(11Z)/19:0/19:0/19:0)) PW001981 | 1506.151 C84H162O17P2 | |
ECMDB24375 | CL(19:0/18:1(11Z)/19:0/19:0) | [(2R)-3-({[(2R)-2,3-bis(nonadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-(nonadecanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid | phospholipid biosynthesis (CL(19:0/18:1(11Z)/19:0/19:0)) PW001988 | 1506.151 C84H162O17P2 | |
ECMDB24911 | CL(19:iso/17:0cycw7c/19:0/19:0) | [3-({[(2R)-2,3-bis(nonadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-{[8-(2-hexylcyclopropyl)octanoyl]oxy}-3-[(17-methyloctadecanoyl)oxy]propoxy]phosphinic acid | phospholipid biosynthesis (CL(19:iso/17:0cycw7c/19:0/19:0)) PW002007 | 1492.124 C83H160O17P2 | |
ECMDB24369 | CL(18:1(11Z)/19:0/18:1(11Z)/19:0) | [2-hydroxy-3-({hydroxy[(2R)-2-(nonadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy]phosphoryl}oxy)propoxy][(2R)-2-(nonadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid | phospholipid biosynthesis (CL(18:1(11Z)/19:0/18:1(11Z)/19:0)) PW001980 | 1490.108 C83H158O17P2 | |
ECMDB24374 | CL(19:0/18:1(11Z)/19:0/18:1(11Z)) | [2-hydroxy-3-({hydroxy[(2R)-3-(nonadecanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propoxy]phosphoryl}oxy)propoxy][(2R)-3-(nonadecanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid | phospholipid biosynthesis (CL(19:0/18:1(11Z)/19:0/18:1(11Z))) PW001987 | 1490.108 C83H158O17P2 | |
ECMDB21339 | Glucosyl-O-acetyl-rhamanosyl-N-acetylglucosamyl-undecaprenyl diphosphate | N-(4-{[3-(acetyloxy)-5-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-{[hydroxy({[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl phosphonato]oxy})phosphoryl]oxy}-6-(hydroxymethyl)oxan-3-yl)ethanecarboximidate | 1478.7574 C77H125NO22P2 | ||
ECMDB24893 | CL(17:0cycw7c/19:iso/17:0cycw7c/19:iso) | [(2R)-3-{[8-(2-hexylcyclopropyl)octanoyl]oxy}-2-[(17-methyloctadecanoyl)oxy]propoxy][3-({[(2R)-3-{[8-(2-hexylcyclopropyl)octanoyl]oxy}-2-[(17-methyloctadecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid | phospholipid biosynthesis (CL(17:0cycw7c/19:iso/17:0cycw7c/19:iso)) PW001973 | 1462.054 C81H154O17P2 | |
ECMDB22135 | CL(16:0/18:1(9Z)/19:0cycv8c/19:0cycv8c) | [(2R)-2,3-bis({[10-(2-hexylcyclopropyl)decanoyl]oxy})propoxy][(2R)-3-({[(2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid | phospholipid biosynthesis CL(16:0/18:1(9Z)/19:0cycv8c/19:0cycv8c) PW001381 | 1460.038 C81H152O17P2 | |
ECMDB22167 | CL(16:0/19:0cycv8c/18:1(9Z)/19:0cycv8c) | [(2R)-3-(hexadecanoyloxy)-2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}propoxy][(2S)-3-({[(2R)-2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-3-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid | phospholipid biosynthesis CL(16:0/19:0cycv8c/18:1(9Z)/19:0cycv8c) PW001409 | 1460.038 C81H152O17P2 | |
ECMDB22172 | CL(16:0/19:0cycv8c/19:0cycv8c/18:1(9Z)) | [(2R)-3-(hexadecanoyloxy)-2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}propoxy][(2S)-3-({[(2R)-3-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-2-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid | phospholipid biosynthesis CL(16:0/19:0cycv8c/19:0cycv8c/18:1(9Z)) PW001413 | 1460.038 C81H152O17P2 | |
ECMDB22529 | CL(18:1(9Z)/16:0/19:0cycv8c/19:0cycv8c) | [(2R)-2,3-bis({[10-(2-hexylcyclopropyl)decanoyl]oxy})propoxy][(2R)-3-({[(2R)-2-(hexadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid | phospholipid biosynthesis (CL(18:1(9Z)/16:0/19:0cycv8c/19:0cycv8c)) PW001600 | 1460.038 C81H152O17P2 | |
ECMDB22688 | CL(19:0cycv8c/16:0/18:1(9Z)/19:0cycv8c) | [(2R)-2-(hexadecanoyloxy)-3-{[10-(2-hexylcyclopropyl)decanoyl]oxy}propoxy][(2S)-3-({[(2R)-2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-3-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid | phospholipid biosynthesis (CL(19:0cycv8c/16:0/18:1(9Z)/19:0cycv8c)) PW001334 | 1460.038 C81H152O17P2 | |
ECMDB22959 | CL(19:0cycv8c/16:0/19:0cycv8c/18:1(9Z)) | [(2R)-2-(hexadecanoyloxy)-3-{[10-(2-hexylcyclopropyl)decanoyl]oxy}propoxy][(2S)-3-({[(2R)-3-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-2-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid | phospholipid biosynthesis (CL(19:0cycv8c/16:0/19:0cycv8c/18:1(9Z))) PW001373 | 1460.038 C81H152O17P2 | |
ECMDB21884 | CL(15:0cyclo/19:0cycv8c/19:0cycv8c/19:0cycv8c) | [(2R)-2,3-bis({[10-(2-hexylcyclopropyl)decanoyl]oxy})propoxy][(2R)-3-({[(2R)-3-{[8-(2-butylcyclopropyl)octanoyl]oxy}-2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid | phospholipid biosynthesis CL(15:0cyclo/19:0cycv8c/19:0cycv8c/19:0cycv8c) PW001203 | 1458.022 C81H150O17P2 | |
ECMDB22382 | CL(16:1(9Z)/18:1(9Z)/19:0cycv8c/19:0cycv8c) | [(2R)-2,3-bis({[10-(2-hexylcyclopropyl)decanoyl]oxy})propoxy][(2R)-3-({[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid | phospholipid biosynthesis CL(16:1(9Z)/18:1(9Z)/19:0cycv8c/19:0cycv8c) PW001614 | 1458.022 C81H150O17P2 | |
ECMDB22408 | CL(16:1(9Z)/19:0cycv8c/18:1(9Z)/19:0cycv8c) | [(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}propoxy][(2S)-3-({[(2R)-2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-3-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid | phospholipid biosynthesis CL(16:1(9Z)/19:0cycv8c/18:1(9Z)/19:0cycv8c) PW001637 | 1458.022 C81H150O17P2 | |
ECMDB22412 | CL(16:1(9Z)/19:0cycv8c/19:0cycv8c/18:1(9Z)) | [(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}propoxy][(2S)-3-({[(2R)-3-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-2-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid | phospholipid biosynthesis CL(16:1(9Z)/19:0cycv8c/19:0cycv8c/18:1(9Z)) PW001643 | 1458.022 C81H150O17P2 |