Products 79082-18-1

CAS 79082-18-1 is the registry number for (S)-Ethylmalonyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

(S)-ethylmalonyl-CoA is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of (2S)-ethylmalonic acid. It is functionally related to an ethylmalonic acid. It is a conjugate acid of a (S)-ethylmalonyl-CoA(5-).

Source: ChEBI

Identity
Molecular formulaC26H42N7O19P3S
Molecular weight881.6 g/mol
IUPAC name(2S)-2-[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]ethylsulfanylcarbonyl]butanoic acid
InChIKeyVUGZQVCBBBEZQE-UQCJFRAESA-N
SMILESCC[C@@H](C(=O)O)C(=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)