Products 852101-47-4
CAS 852101-47-4 is the registry number for cis-Vaccenoyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.
(11Z)-octadecenoyl-CoA is an octadecenoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (11Z)-octadecenoic acid. It is functionally related to a cis-vaccenic acid. It is a conjugate acid of an (11Z)-octadecenoyl-CoA(4-).
Source: ChEBI
| Molecular formula | C39H68N7O17P3S |
|---|---|
| Molecular weight | 1032.0 g/mol |
| IUPAC name | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (Z)-octadec-11-enethioate |
| InChIKey | HEJOXXLSCAQQGQ-SAIINBSPSA-N |
| SMILES | CCCCCC/C=C\CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
Computed by PubChem (NCBI)