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CHEBI:233741 - 3-Oxo-2,6,10-trimethyldodec-2-enedioic acid CoA
| Formula | C36H55N7O20P3S |
| Net Charge | -5 |
| Average Mass | 1030.854 |
| Monoisotopic Mass | 1030.24629 |
| SMILES | CC(CCCC(C)CC(=O)[O-])CCC(=O)C(C)C(=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-] |
| InChI | InChI=1S/C36H60N7O20P3S/c1-20(7-6-8-21(2)15-26(46)47)9-10-23(44)22(3)35(51)67-14-13-38-25(45)11-12-39-33(50)30(49)36(4,5)17-60-66(57,58)63-65(55,56)59-16-24-29(62-64(52,53)54)28(48)34(61-24)43-19-42-27-31(37)40-18-41-32(27)43/h18-22,24,28-30,34,48-49H,6-17H2,1-5H3,(H,38,45)(H,39,50)(H,46,47)(H,55,56)(H,57,58)(H2,37,40,41)(H2,52,53,54)/p-5/t20?,21?,22?,24-,28+,29-,30+,34+/m1/s1 |
| InChIKey | QSOKRFJVLNJPQI-ZASQWULSSA-I |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Oxo-2,6,10-trimethyldodec-2-enedioic acid CoA (CHEBI:233741) is a organic molecular entity (CHEBI:50860) |
| IUPAC Name |
|---|
| 12-[(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]-3,7,11-trimethyl-10,12-dioxododecanoic acid |
| Citations |
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