CAS 5060-32-2: Hexanoyl-CoA

Formula: C₂₇H₄₆N₇O₁₇P₃S

InChI: InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22+,26-/m1/s1

InChI key: InChIKey=OEXFMSFODMQEPE-HDRQGHTBSA-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)CCCCC

Synonyms:

• Hexanethioic acid, S-ester with coenzyme A
• Hexanoyl-coenzyme A
• Coenzyme A, hexanoate
• Coenzyme A, S-hexanoate
• Caproyl coenzyme A

Hexanoyl Coenzyme A

CAS: 5060-32-2

• Formula: C₂₇H₄₆N₇O₁₇P₃S
• Molecular weight: 865.68