CAS: 19774-86-8 - Coenzyme A, S-(3-oxohexanoate)

Formula: C₂₇H₄₄N₇O₁₈P₃S

InChI: InChI=1S/C27H44N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-14,16,20-22,26,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t16-,20-,21-,22+,26-/m1/s1

InChI key: InChIKey=NFOYYXQAVVYWKV-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)CC(=O)CCC

Synonyms:

• 3-Ketohexanoyl-CoA
• Coenzyme A, S-(3-oxohexanoate)
• β-Ketohexanoyl coenzyme A
• 3-Oxohexanoyl coenzyme A

Coenzyme A, S-(3-oxohexanoate)

CAS: 19774-86-8

• Formula: C₂₇H₄₄N₇O₁₈P₃S
• Molecular weight: 879.6606

3-Oxohexanoyl Coenzyme A

CAS: 19774-86-8

• Formula: C₂₇H₄₄N₇O₁₈P₃S
• Molecular weight: 879.66