Products 6244-91-3

CAS 6244-91-3 appears in our catalog under these names: Isovaleryl-CoA (sodium), 99.0%, Isovaleryl-CoA, ISOVALERYL COENZYME A LITHIUM SALT HYDRA, 95%. Offered by: MedChemExpress, Chemat. Available pack sizes: 5 mg, 1 mg, Get quote, 1mg, 5mg.

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

Isovaleryl-CoA is a methylbutanoyl-CoA is the S-isovaleryl derivative of coenzyme A. It has a role as a mouse metabolite. It is a methylbutanoyl-CoA and a short-chain fatty acyl-CoA. It is functionally related to a butyryl-CoA and an isovaleric acid. It is a conjugate acid of an isovaleryl-CoA(4-).

Source: ChEBI

Identity
Molecular formulaC26H44N7O17P3S
Molecular weight851.7 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] 3-methylbutanethioate
InChIKeyUYVZIWWBJMYRCD-ZMHDXICWSA-N
SMILESCC(C)CC(=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)