
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@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(CC(C)O)=O)=O)=O)O)(C)C)(=O)O)(=O)O)[C@H]1OP(=O)(O)O
Synonyms:- 3-Hydroxybutyryl-CoA
- β-Hydroxybutyryl coenzyme A
- Coenzyme A, S-(3-hydroxybutanoate)
- β-Hydroxybutyryl CoA
- Coenzyme A, S-(3-hydroxybutyrate)
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