(3R)-3-hydroxybutanoyl-CoA

(3<i>R</i>)-3-hydroxybutanoyl-CoA




Chemical Formula:
C25H38N7O18P3S
Molecular Weight:
849.593 Daltons
Monoisotopic Mass:
853.1519878024 Daltons
SMILES:
CC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)O
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)/p-4/t13-,14-,18-,19-,20+,24-/m1/s1
InChIKey:
QHHKKMYHDBRONY-WZZMXTMRSA-J

Synonyms
  • 3-OH-butyryl-CoA
  • OH-butyryl-CoA
  • β-hydroxybutyryl-S-CoA
  • D-3-hydroxybutyryl-CoA
  • hydroxy-butyryl-CoA
  • β-hydroxybutyryl-CoA
  • 3-hydroxybutyryl-CoA
  • (3R)-3-Hydroxybutanoyl-CoA
  • 3-hydroxybutanoyl-CoA

Databases
MetaCyc:  CPD-650
ChEBI:  57315
PubChem (CID):  45266552
HMDB:  HMDB01166
KEGG:  C03561
UMBBD-Compounds:  c0030
MetaNetX:  MNXM1058