Products 3546-17-6

CAS 3546-17-6 appears in our catalog under these names: 17:0 COENZYME A, Heptadecanoyl Coenzyme A, Heptadecanoyl Coenzyme A, 97.00%. Offered by: Sigma-Aldrich, GLPBio, MedChemExpress. Available pack sizes: 5MG, 1mg, 1 mg, 5 mg.

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

Heptadecanoyl-CoA is a long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of heptadecanoic acid. It has a role as a metabolite. It is a saturated fatty acyl-CoA, a long-chain fatty acyl-CoA and an 11,12-saturated fatty acyl-CoA. It is functionally related to a heptadecanoic acid. It is a conjugate acid of a heptadecanoyl-CoA(4-).

Source: ChEBI

Identity
Molecular formulaC38H68N7O17P3S
Molecular weight1020.0 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] heptadecanethioate
InChIKeyDRABUZIHHACUPI-DUPKZGIXSA-N
SMILESCCCCCCCCCCCCCCCCC(=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)