3-methyl-2-oxobutanoate





Chemical Formula:
C5H7O3
Molecular Weight:
115.108 Daltons
Monoisotopic Mass:
116.0473441231 Daltons
SMILES:
CC(C(C([O-])=O)=O)C
InChI:
1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)/p-1

Synonyms
  • 2-oxo-3-methylbutanoate
  • 2-oxoisovalerate
  • α-keto-isovaleric acid
  • α-ketoisopentanoic acid
  • α-keto-isovalerate
  • α-oxoisovalerate
  • α-ketovaline
  • 2-keto-isovalerate
  • 2-ketovaline
  • α-keto-valine
  • 2-oxoisopentanoate
  • 2-keto-3-methylbutyric acid
  • 3-methyl-2-oxobutyrate
  • 3-Methyl-2-oxobutyric acid
  • 3-Methyl-2-oxobutanoic acid

Databases
MetaCyc:  2-KETO-ISOVALERATE
BiGG:  3mob
MetaboLights:  MTBLC11851
HMDB:  HMDB00019
ChemSpider:  4375810
PubChem (CID):  5204641 49
ChEBI:  11851 16530
KEGG:  C00141
CAS:  759-05-7
PupChem (SID):  3441
CHEMBL:  CHEMBL146554
LIPID MAPS:  LMFA01020274
KNApSAcK:  C00007623
PDB-CCD:  KIV
3DMET:  B00039
NIKKAJI:  J39.558G
Seed:  cpd00123
MetaNetX:  MNXM238