isobutanoyl-CoA
Chemical Formula:
C25H38N7O17P3S
Molecular Weight:
833.593 Daltons
Monoisotopic Mass:
837.1570731803 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-])C
InChI:
1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/p-4/t14-,17-,18-,19+,23-/m1/s1
InChIKey:
Synonyms
- 2-methylpropanoyl-CoA
- isobutyryl-coenzyme A
- 2-methylpropionyl-CoA
- S-(2-methylpropanoyl)-CoA
- isobutyryl-CoA
Databases
MetaCyc:
ISOBUTYRYL-COA
RefMet:
Isobutyryl-CoA
MetaboLights:
MTBLC57338
HMDB:
HMDB01243
KEGG:
C00630
CAS:
15621-60-0
Reactome:
70851
Seed:
cpd00481
MetaNetX:
MNXM470
NIKKAJI:
J721.070A
PDB-CCD:
CO6
LIPID MAPS:
LMFA07050331
PupChem (SID):
3903