CAS 204120-61-6

Coenzyme A, S-(4,8-dimethylnonanoate)

Description:

Coenzyme A, S-(4,8-dimethylnonanoate) is a derivative of coenzyme A, which plays a crucial role in various biochemical pathways, particularly in the metabolism of fatty acids and the synthesis of acetyl-CoA. This compound features a long hydrocarbon chain, specifically a 4,8-dimethylnonanoate moiety, which contributes to its hydrophobic characteristics, allowing it to interact effectively with lipid membranes and enzymes. The presence of the coenzyme A structure provides it with a reactive thiol group, enabling it to participate in acyl group transfer reactions. This substance is involved in the activation of fatty acids for subsequent metabolism and is essential for the synthesis of various biomolecules. Its CAS number, 204120-61-6, uniquely identifies this specific compound in chemical databases. Overall, Coenzyme A, S-(4,8-dimethylnonanoate) is significant in cellular metabolism, influencing energy production and the biosynthesis of lipids and other essential biomolecules.

Formula: C₃₂H₅₆N₇O₁₇P₃S

InChI: InChI=1S/C32H56N7O17P3S/c1-19(2)7-6-8-20(3)9-10-23(41)60-14-13-34-22(40)11-12-35-30(44)27(43)32(4,5)16-53-59(50,51)56-58(48,49)52-15-21-26(55-57(45,46)47)25(42)31(54-21)39-18-38-24-28(33)36-17-37-29(24)39/h17-21,25-27,31,42-43H,6-16H2,1-5H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t20?,21-,25-,26-,27+,31-/m1/s1

InChI key: InChIKey=YGNKJFPEXQCWDB-ANHZDMDASA-N

SMILES: O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(CCC(CCCC(C)C)C)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O

Synonyms:

• Coenzyme A, S-(4,8-dimethylnonanoate)
• 4,8-Dimethylnonanoyl-CoA

4,8-Dimethylnonanoyl-CoA

Controlled Product

CAS: 204120-61-6

Formula: C₃₂H₅₆N₇O₁₇P₃S

Color and Shape: Neat

Molecular weight: 935.81

Ref: TR-D476483