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

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 free acid

CAS: 1264-52-4

Formula: C29H50N7O17P3S

Purity: >95%

Color and Shape: Solid

Molecular weight: 893.73

Ref: 48-19-0800

Octanoyl Coenzyme A, Free acid

CAS: 1264-52-4

Purity: 95%

Molecular weight: 893.22

Ref: 10-C300053

Octanoyl coenzyme A potassium salt

CAS: 1264-52-4

Octanoyl CoA is a molecule that belongs to the class of acyl-coenzyme A. It is an important intermediate in fatty acid metabolism and is also used in the synthesis of long-chain fatty acids. Octanoyl CoA can be converted back to acetyl-CoA by enzymes called synthetases, which are active in energy metabolism. Octanoyl CoA has been shown to have clinical relevance for diseases such as acyl chain disorders, carnitine deficiency, and dehydrogenase deficiency. Octanoyl CoA is a potential drug target since it can be converted into octanoic acid, which has been shown to inhibit enzyme activities and protein synthesis.

Formula: C₂₉H₄₇N₇O₁₇P₃S·3K

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 1,008 g/mol

Ref: 3D-NO47202