Products 138168-91-9

CAS 138168-91-9 is the registry number for (3R)-Hydroxyhexadecanedioyl-CoA. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

(3R)-hydroxyhexadecanedioyl-CoA is an (R)-3-hydroxyacyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of (3R)-hydroxyhexadecanedioic acid. It is functionally related to a hexadecanedioic acid. It is a conjugate acid of a (3R)-hydroxyhexadecanedioyl-CoA(5-).

Source: ChEBI

Identity
Molecular formulaC37H64N7O20P3S
Molecular weight1051.9 g/mol
IUPAC name(14R)-16-[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]ethylsulfanyl]-14-hydroxy-16-oxohexadecanoic acid
InChIKeyQNUDSTASHBDCFR-BCGNJVCZSA-N
SMILESCC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@@H](CCCCCCCCCCCCC(=O)O)O)O

Computed by PubChem (NCBI)