Chemical Component Summary

Name3-METHYL-2-OXOBUTANOIC ACID
SynonymsALPHA-KETOISOVALERIC ACID; KETOVALINE
Identifiers3-methyl-2-oxo-butanoic acid
FormulaC5 H8 O3
Molecular Weight116.115
TypeNON-POLYMER
Isomeric SMILESCC(C)C(=O)C(=O)O
InChIInChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)
InChIKeyQHKABHOOEWYVLI-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count16
Chiral Atom Count0
Bond Count15
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB04074 
Namealpha-Ketoisovalerate
Groups experimental
Synonyms
  • 2-Ketoisovaleric acid
  • 2-Ketovaline
  • Isopropylglyoxylic acid
  • 2-Oxo-3-methylbutanoic acid
  • 3-Methyl-2-oxobutanoate
Categories
  • Pentanoic Acids
  • Terpenes
CAS number759-05-7

Drug Targets

NameTarget SequencePharmacological ActionActions
Branched-chain-amino-acid aminotransferase, mitochondrialMAAAALGQIWARKLLSVPWLLCGPRRYASSSFKAADLQLEMTQKPHKKPG...unknown
3-methyl-2-oxobutanoate hydroxymethyltransferaseMITVNTLQKMKAAGEKIAMLTAYESSFAALMDDAGVEMLLVGDSLGMAVQ...unknown
Deacetoxycephalosporin C synthaseMDTTVPTFSLAELQQGLHQDEFRRCLRDKGLFYLTDCGLTDTELKSAKDL...unknown
2-isopropylmalate synthaseMTTSESPDAYTESFGAHTIVKPAGPPRVGQPSWNPQRASSMPVNRYRPFA...unknown
Monocarboxylate transporter 2MPPMPSAPPVHPPPDGGWGWIVVGAAFISIGFSYAFPKAVTVFFKEIQQI...unknowninhibitor
View More
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 49
ChEMBL CHEMBL146554
ChEBI CHEBI:16530