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CHEBI:140683 - cis-11,12-methyleneoctadecanoyl-CoA(4-)
| Formula | C40H66N7O17P3S |
| Net Charge | -4 |
| Average Mass | 1041.989 |
| Monoisotopic Mass | 1041.34707 |
| SMILES | CCCCCCC1C[C@H]1CCCCCCCCCC(=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/C40H70N7O17P3S/c1-4-5-6-12-15-27-22-28(27)16-13-10-8-7-9-11-14-17-31(49)68-21-20-42-30(48)18-19-43-38(52)35(51)40(2,3)24-61-67(58,59)64-66(56,57)60-23-29-34(63-65(53,54)55)33(50)39(62-29)47-26-46-32-36(41)44-25-45-37(32)47/h25-29,33-35,39,50-51H,4-24H2,1-3H3,(H,42,48)(H,43,52)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/p-4/t27?,28-,29-,33-,34-,35+,39-/m1/s1 |
| InChIKey | VDYGDLAYZYHVKO-BBAONULGSA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cis-11,12-methyleneoctadecanoyl-CoA(4-) (CHEBI:140683) is a organic molecular entity (CHEBI:50860) |