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CHEBI:233745 - 3-Oxo-4,8-dimethyldec-2-enedioic acid CoA
| Formula | C33H49N7O20P3S |
| Net Charge | -5 |
| Average Mass | 988.773 |
| Monoisotopic Mass | 988.19934 |
| SMILES | CC(CCCC(C)C(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1OP(=O)([O-])[O-])CC(=O)[O-] |
| InChI | InChI=1S/C33H54N7O20P3S/c1-18(12-23(43)44)6-5-7-19(2)20(41)13-24(45)64-11-10-35-22(42)8-9-36-31(48)28(47)33(3,4)15-57-63(54,55)60-62(52,53)56-14-21-27(59-61(49,50)51)26(46)32(58-21)40-17-39-25-29(34)37-16-38-30(25)40/h16-19,21,26-28,32,46-47H,5-15H2,1-4H3,(H,35,42)(H,36,48)(H,43,44)(H,52,53)(H,54,55)(H2,34,37,38)(H2,49,50,51)/p-5/t18?,19?,21-,26+,27-,28+,32+/m1/s1 |
| InChIKey | WOOGTYGYGRDFSX-GSVPSUOUSA-I |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Oxo-4,8-dimethyldec-2-enedioic acid CoA (CHEBI:233745) is a organic molecular entity (CHEBI:50860) |
| IUPAC Name |
|---|
| 10-[(2-{3-[(2R)-3-[({[({[(2R,3S,4S,5S)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-3,7-dimethyl-8,10-dioxodecanoic acid |
| Citations |
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