Products 292156-46-8

CAS 292156-46-8 is the registry number for (9Z)-12-Hydroxyoctadec-9-enoyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

(9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (9Z,12R)-12-hydroxyoctadec-9-enoic (ricinoleic) acid. It is a long-chain fatty acyl-CoA, an unsaturated fatty acyl-CoA and a hydroxy fatty acyl-CoA. It is functionally related to a ricinoleic acid. It is a conjugate acid of a (9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA(4-).

Source: ChEBI

Identity
Molecular formulaC39H68N7O18P3S
Molecular weight1048.0 g/mol
IUPAC nameS-[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,12R)-12-hydroxyoctadec-9-enethioate
InChIKeyBHVZCCKRRPYXCV-MGNVXPIMSA-N
SMILESCCCCCC[C@H](C/C=C\CCCCCCCC(=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)O

Computed by PubChem (NCBI)