Metabolites
Displaying metabolites 801 - 825 of 3755 in total
| Metabolite ID | Name CAS Number | IUPAC Name | SMPDB Pathways | Weight Formula | Structure |
|---|---|---|---|---|---|
| ECMDB20103 | 5-Dehydro-4-deoxy-D-glucuronate | (4S,5R)-4,5-dihydroxy-2,6-dioxohexanoic acid | Collection of Reactions without pathways PW001891 | 176.1241 C6H8O6 |  |
| ECMDB20104 | 5-Methyl-3-oxo-4-hexenoyl-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-[(5-methyl-3-oxohex-4-enoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid | 891.671 C28H44N7O18P3S |  | |
| ECMDB20105 | 5-Methylhex-4-enoyl-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-[(5-methylhex-4-enoyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid | 877.688 C28H46N7O17P3S |  | |
| ECMDB20106 | 5-O-(1-Carboxyvinyl)-3-phosphoshikimate 89771-75-5 | (3R,4S,5R)-5-[(1-carboxyeth-1-en-1-yl)oxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid | 324.178 C10H13O10P |  | |
| ECMDB20107 | 5-Phenyl-1,3-oxazinane-2,4-dione | 4-hydroxy-5-phenyl-5,6-dihydro-2H-1,3-oxazin-2-one | 191.1834 C10H9NO3 |  | |
| 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 |  | |
| ECMDB20109 | 7,8-Diaminononanoate 21738-21-6 | 7,8-diaminononanoic acid | Biotin metabolism PW000762 | 187.264 C9H19N2O2 |  |
| ECMDB20110 | 7,8-Dihydro-7-hydroxy-8-S-glutathionyl-benzo[a]pyrene | (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({6-hydroxypentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1,3,7,9(19),10,12(20),13,15,17-nonaen-5-yl}sulfanyl)ethyl]-C-hydroxycarbonimidoyl}butanoic acid | 575.632 C30H29N3O7S |  | |
| ECMDB20111 | 8-Amino-7-oxononanoate 4707-58-8 | Biotin metabolism PW000762 | 187.2362 C9H17NO3 |  | |
| ECMDB20112 | ADP-D-Glycero-D-manno-heptose | [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy})phosphinic acid | 619.3677 C17H27N5O16P2 |  | |
| ECMDB20113 | ADP-L-Glycero-D-manno-heptose | [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy})phosphinic acid | Lipopolysaccharide biosynthesis PW000831 | 619.3677 C17H27N5O16P2 |  |
| ECMDB20116 | Aminoacetaldehyde 645-36-3 | 2-aminoacetaldehyde | 59.0672 C2H5NO |  | |
| ECMDB20117 | Arbutin 6-phosphate | {[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methoxy}phosphonic acid | 352.2311 C12H17O10P |  | |
| ECMDB20118 | Benzo[a]pyrene-4,5-oxide 37574-47-3 | 18-oxahexacyclo[10.7.2.0³,⁸.0⁹,²⁰.0¹⁶,²¹.0¹⁷,¹⁹]henicosa-1,3,5,7,9(20),10,12(21),13,15-nonaene | glutathione metabolism III PW002018 | 268.3087 C20H12O |  |
| ECMDB20119 | Benzo[a]pyrene-7,8-diol 13345-25-0 | pentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1,3,7,9(19),10,12(20),13,15,17-nonaene-5,6-diol | 286.324 C20H14O2 |  | |
| 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 |  | |
| ECMDB20121 | Benzoyl phosphate 6659-26-3 | (benzoyloxy)phosphonic acid | Aminobenzoate Degradation PW000757 | 202.1012 C7H7O5P |  |
| ECMDB20123 | beta-D-Fructose 1,6-bisphosphate 125740-83-2 | {[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methoxy}phosphonic acid | 340.1157 C6H14O12P2 |  | |
| ECMDB20124 | beta-D-Glucose 1-phosphate 55607-88-0 | {[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid | Starch and sucrose metabolism PW000941 | 260.1358 C6H13O9P |  |
| ECMDB20125 | Bromobenzene-2,3-oxide 71942-12-6 | 2-bromo-7-oxabicyclo[4.1.0]hepta-2,4-diene | Glutathione metabolism PW000833 | 173.007 C6H5BrO |  |
| ECMDB20126 | Bromobenzene-3,4-oxide 51981-75-0 | 3-bromo-7-oxabicyclo[4.1.0]hepta-2,4-diene | glutathione metabolism III PW002018 | 173.007 C6H5BrO |  |
| ECMDB20128 | Cis-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide 115793-61-8 | 2-[(2E)-4-chloro-5-oxo-2,5-dihydrofuran-2-ylidene]acetic acid | 174.539 C6H3ClO4 |  | |
| ECMDB20129 | cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol | (2E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]prop-2-enoic acid | 182.1733 C9H10O4 |  | |
| ECMDB20130 | cis-3-(Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol | 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoic acid | Phenylalanine metabolism PW000921 | 184.1892 C9H12O4 |  |
| ECMDB20131 | Cis-4-Carboxymethylenebut-2-en-4-olide 73237-79-3 | 2-[(2E)-5-oxo-2,5-dihydrofuran-2-ylidene]acetic acid | Fluorobenzoate degradation PW000766 | 140.0936 C6H4O4 |  |