CAS: 2871-66-1 - 3-Hydroxybutyryl-CoA

Formula: C₂₅H₄₂N₇O₁₈P₃S

InChI: InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13?,14-,18-,19-,20+,24-/m1/s1

InChI key: InChIKey=QHHKKMYHDBRONY-RMNRSTNRSA-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)C

Synonyms:

• 3-Hydroxybutyryl-CoA
• β-Hydroxybutyryl coenzyme A
• Coenzyme A, S-(3-hydroxybutanoate)
• β-Hydroxybutyryl CoA
• Coenzyme A, S-(3-hydroxybutyrate)

3-Hydroxybutyrate Coenzyme A

CAS: 2871-66-1

• Formula: C₂₅H₄₂N₇O₁₈P₃S
• Molecular weight: 853.62