Metabolites
Displaying metabolites 3726 - 3750 of 3755 in total
| Metabolite ID | Name CAS Number | IUPAC Name | SMPDB Pathways | Weight Formula | Structure |
|---|---|---|---|---|---|
| ECMDB03946 | (2E)-Tetradecenoyl-CoA 38795-33-4 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2E)-tetradec-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 975.874 C35H60N7O17P3S |  | |
| ECMDB03949 | (2E)-Octenoyl-CoA 10018-94-7 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2E)-oct-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid | 891.714 C29H48N7O17P3S |  | |
| ECMDB03945 | (2E)-Hexadecenoyl-CoA 4460-95-1 | {[5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-(hexadec-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 | 999.895 C37H60N7O17P3S |  | |
| ECMDB03712 | (2E)-Dodecenoyl-CoA 1066-12-2 | {[5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-(dodec-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 | 943.789 C33H52N7O17P3S |  | |
| 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 |  | |
| ECMDB20008 | (2E)-5-Methylhexa-2,4-dienoyl-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-{[(2E)-5-methylhexa-2,4-dienoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}butanimidic acid | 875.672 C28H44N7O17P3S |  | |
| ECMDB20007 | (2-Naphthyl)methanol 1592-38-7 | naphthalen-2-ylmethanol | Collection of Reactions without pathways PW001891 | 158.1965 C11H10O |  |
| ECMDB23091 | (2-N,3-O-bis(3-Hydroxytetradecanoyl)-4-O-phosphono-beta-D-glucosaminyl)-(1->6)-(2-N,3-O-bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl phosphate) | (3R)-3-hydroxy-N-[(2R,3R,4R,5S,6R)-5-hydroxy-6-({[(2R,3R,4R,5S,6R)-3-{[(3R)-3-hydroxy-1-oxidotetradecylidene]amino}-6-(hydroxymethyl)-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-5-(phosphonatooxy)oxan-2-yl]oxy}methyl)-4-{[(3R)-3-hydroxytetradecanoyl]oxy}-2-(phosphonooxy)oxan-3-yl]tetradecanecarboximidate | 1401.6752 C68H126N2O23P2 |  | |
| ECMDB23049 | (2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate | 6-({[hydroxy(phosphonooxy)phosphoryl]oxy}methyl)-2-imino-1,2,7,8-tetrahydropteridin-4-olate | Folate biosynthesis PW000908 | 352.1146 C7H8N5O8P2 |  |
| ECMDB04053 | (2,3-Dihydroxybenzoyl)adenylic acid | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(2,3-dihydroxybenzoyloxy)phosphinic acid | 483.3261 C17H18N5O10P |  | |
| ECMDB24202 | (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate | 1-(1H-indol-3-yl)-3-(phosphonatooxy)propane-1,2-diol | 285.193 C11H12NO6P |  | |
| ECMDB20006 | (1S)-Hydroxy-(2S)-glutathionyl-1,2-dihydronaphthalene | (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[(1S,2S)-1-hydroxy-1,2-dihydronaphthalen-2-yl]sulfanyl}ethyl]-C-hydroxycarbonimidoyl}butanoic acid | Glutathione metabolism PW000833 | 451.493 C20H25N3O7S |  |
| ECMDB20002 | (1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate | (1R,6R)-2-(3-carboxypropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid | Menaquinol biosythesis PW001897 | 238.196 C11H10O6 |  |
| ECMDB20001 | (1R,2S)-Naphthalene 1,2-oxide 73136-20-6 | (1aR,7aS)-1aH,7aH-naphtho[1,2-b]oxirene | Glutathione metabolism PW000833 | 144.1699 C10H8O |  |
| ECMDB20004 | (1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene | (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[(1R,2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl]sulfanyl}ethyl]-C-hydroxycarbonimidoyl}butanoic acid | Glutathione metabolism PW000833 | 451.493 C20H25N3O7S |  |
| ECMDB20003 | (1R)-Glutathionyl-(2R)-hydroxy-1,2-dihydronaphthalene | (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[(1R,2R)-2-hydroxy-1,2-dihydronaphthalen-1-yl]sulfanyl}ethyl]-C-hydroxycarbonimidoyl}butanoic acid | Glutathione metabolism PW000833 | 451.493 C20H25N3O7S |  |
| ECMDB24212 | β-L-fucopyranose | 6-methyloxane-2,3,4,5-tetrol | fucose and rhamnose degradation PW000826 | 164.157 C6H12O5 |  |
| ECMDB24206 | β-D-glucose 6-phosphate | methylidene[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]phosphonite | 256.148 C7H13O8P |  | |
| ECMDB24231 | S-ribosyl-L-homocysteine | (1-carboxylato-3-{[(3,4,5-trihydroxyoxolan-2-yl)methyl]sulfanyl}propyl)azaniumyl | 264.27 C9H14NO6S |  | |
| ECMDB24199 | N5-methyl--tetrahydropteroyl tri-L-glutamate | (4S)-4-carboxy-4-{[(4S)-4-carboxy-4-{[(4S)-4-carboxy-4-{[4-({[(6S)-2-imino-5-methyl-4-oxido-1,2,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}-1-oxidobutylidene]amino}-1-oxidobutylidene]amino}butanoate | methionine biosynthesis PW000814 | 713.663 C30H35N9O12 |  |
| ECMDB24191 | N2-succinylglutamate | (2S)-2-(3-carboxylatopropanamido)pentanedioate | arginine metabolism PW000790 | 244.181 C9H10NO7 |  |
| ECMDB24190 | N2-succinyl-L-arginine | (2S)-5-{[amino(iminiumyl)methyl]amino}-2-(3-carboxylatopropanamido)pentanoate | arginine metabolism PW000790 | 273.27 C10H17N4O5 |  |
| ECMDB24200 | N-(5-phosphoribosyl)-anthranilate | 2-({3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}amino)benzoate | 346.209 C12H13NO9P |  | |
| ECMDB24194 | L-ribulose 5-phosphate | (3S,4S)-1,3,4-trihydroxy-5-(phosphonatooxy)pentan-2-one | 228.094 C5H9O8P |  | |
| ECMDB24255 | isethionate | 2-hydroxyethane-1-sulfonate | sulfur metabolism (isethionate) PW000926 | 125.12 C2H5O4S |  |