CAS 146622-45-9: Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate)

Description: Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate), commonly referred to as CoA derivative, is a coenzyme that plays a crucial role in various biochemical reactions, particularly in the metabolism of fatty acids and the synthesis of acetyl-CoA. This compound is characterized by its structure, which includes a pantothenic acid moiety, a cysteamine unit, and a variable acyl group, in this case, a long-chain fatty acid with four methyl branches. The presence of these methyl groups contributes to its hydrophobic nature, influencing its interaction with lipid membranes and enzymes. Coenzyme A is essential for the activation of acyl groups, facilitating their transfer in metabolic pathways. It is involved in the synthesis and degradation of fatty acids, the metabolism of carbohydrates, and the biosynthesis of various biomolecules. The CAS number 146622-45-9 identifies this specific derivative, which is utilized in research and industrial applications related to biochemistry and metabolic engineering. Overall, Coenzyme A derivatives are vital for cellular energy production and the regulation of metabolic processes.

Formula: C₄₁H₇₄N₇O₁₇P₃S

InChI: InChI=1S/C41H74N7O17P3S/c1-26(2)11-8-12-27(3)13-9-14-28(4)15-10-16-29(5)21-32(50)69-20-19-43-31(49)17-18-44-39(53)36(52)41(6,7)23-62-68(59,60)65-67(57,58)61-22-30-35(64-66(54,55)56)34(51)40(63-30)48-25-47-33-37(42)45-24-46-38(33)48/h24-30,34-36,40,51-52H,8-23H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)

InChI key: InChIKey=NRJQGHHZMSOUEN-UHFFFAOYSA-N

SMILES: O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O)CC(C)CCCC(C)CCCC(C)CCCC(C)C

Synonyms:

• Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate)
• Phytanic acid coenzyme A ester
• Phytanoyl-CoA
• S-{1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (3S,7R,11R)-3,7,11,15-tetramethylhexadecanethioate (non-preferred name)
• [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-[(3S,7S,11R)-3,7,11,15-tetramethylhexadecanoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

3,7,11,15-Tetramethylhexadecanoyl Coenzyme A (NH4)3 salt

CAS: 146622-45-9

• Formula: C41H74N7O17P3S
• Purity: >95%
• Color and Shape: Solid
• Molecular weight: 1062.05

Coenzyme A S-​(3,​7,​11,​15-​tetramethylhexadecan​oate)

CAS: 146622-45-9

Coenzyme A S-​(3,​7,​11,​15-​tetramethylhexadecan​oate) is a fatty acid with a hydroxyl group. It can be synthesized …

• Formula: C₄₁H₇₄N₇O₁₇P₃S
• Purity: Min. 95%
• Molecular weight: 1,062.1 g/mol