Products 17331-97-4

CAS 17331-97-4 appears in our catalog under these names: Heptanoyl-CoA -D3, C7:0-CoA. Offered by: TRC, Biosynth, MedChemExpress. Available pack sizes: 5mg, 10mg, 25mg, 50mg, Get quote.

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

Heptanoyl-CoA is a medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of heptanoic acid. It is a saturated fatty acyl-CoA and a medium-chain fatty acyl-CoA. It is functionally related to a coenzyme A and a heptanoic acid. It is a conjugate acid of a heptanoyl-CoA(4-).

Source: ChEBI

Identity
Molecular formulaC28H48N7O17P3S
Molecular weight879.7 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] heptanethioate
InChIKeyCHVYGJMBUXUTSX-SVHODSNWSA-N
SMILESCCCCCCC(=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)