CAS: 1264-52-4 - Octanoyl-CoA

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

Octanoyl CoA is a molecule that belongs to the class of acyl-coenzyme A. It is …

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