CAS 1264-52-4: Octanoyl-CoA

Description: Octanoyl-CoA, also known as octanoyl coenzyme A, is a fatty acyl-CoA derivative that plays a crucial role in lipid metabolism. It is formed from octanoic acid (caprylic acid) and coenzyme A through the action of acyl-CoA synthetase. This compound is characterized by its long hydrocarbon chain, consisting of eight carbon atoms, which contributes to its hydrophobic nature. Octanoyl-CoA is involved in various biochemical pathways, including fatty acid oxidation and the synthesis of complex lipids. It serves as an important substrate for mitochondrial beta-oxidation, where it is broken down to generate energy. Additionally, octanoyl-CoA can participate in the synthesis of medium-chain triglycerides and other lipid derivatives. Its role in metabolic processes makes it significant in both energy production and cellular signaling. The compound is typically found in biological systems, particularly in tissues that metabolize fatty acids, and is essential for maintaining energy homeostasis.

Formula: C₂₉H₅₀N₇O₁₇P₃S

InChI: InChI=1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28-/m1/s1

InChI key: InChIKey=KQMZYOXOBSXMII-CECATXLMSA-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)CCCCCCC

Synonyms:

• Capryloyl CoA
• Coenzyme A, S-octanoate
• N-octanoyl coenzyme A
• Octanoyl coenzyme A
• Octanoyl-CoA
• S-{(9R)-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} octanethioate (non-preferred name)
• n-Octanoyl-CoA

Octanoyl Coenzyme A Na salt

CAS: 1264-52-4

• Formula: C29H50N7O17P3S
• Purity: >95%
• Color and Shape: Solid
• Molecular weight: 893.73

Octanoyl coenzyme A potassium salt

CAS: 1264-52-4

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• Formula: C₂₉H₄₇N₇O₁₇P₃S·3K
• Purity: Min. 95%
• Color and Shape: Powder
• Molecular weight: 1,008 g/mol