(S)-3-hydroxy-isobutanoyl-CoA

(<i>S</i>)-3-hydroxy-isobutanoyl-CoA




Chemical Formula:
C25H38N7O18P3S
Molecular Weight:
849.593 Daltons
Monoisotopic Mass:
853.1519878024 Daltons
SMILES:
CC(C(=O)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-])CO
InChI:
1S/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/t13-,14+,17+,18+,19-,23+/m0/s1
InChIKey:
WWEOGFZEFHPUAM-UQCJFRAESA-J

Synonyms
  • (S)-3-hydroxy-2-methylpropanoyl-CoA
  • (S)-3-hydroxy-isobutyryl-coenzyme A
  • (S)-3-Hydroxy-2-methylpropionyl-CoA
  • (S)-β-hydroxy-isobutyryl-CoA
  • (S)-3-hydroxy-isobutyryl-CoA

Databases
MetaCyc:  CPD-12173
RefMet:  3-hydroxyisobutyryl-CoA
ChEBI:  62611
PubChem (CID):  46173510
MetaboLights:  MTBLC28259
KEGG:  C06000
Seed:  cpd03572
HMDB:  HMDB01052
MetaNetX:  MNXM90341