KIV

3-METHYL-2-OXOBUTANOIC ACID

Created: 2001-01-16
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count16
Chiral Atom Count0
Bond Count15
Aromatic Bond Count0
2D diagram of KIV
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Chemical Component Summary

Name3-METHYL-2-OXOBUTANOIC ACID
SynonymsALPHA-KETOISOVALERIC ACID; KETOVALINE
Systematic Name (OpenEye OEToolkits)3-methyl-2-oxo-butanoic acid
FormulaC5 H8 O3
Molecular Weight116.115
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(C(=O)O)C(C)C
SMILESCACTVS3.341CC(C)C(=O)C(O)=O
SMILESOpenEye OEToolkits1.5.0CC(C)C(=O)C(=O)O
Canonical SMILESCACTVS3.341 CC(C)C(=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CC(C)C(=O)C(=O)O
InChIInChI1.03 InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)
InChIKeyInChI1.03 QHKABHOOEWYVLI-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB04074 
Namealpha-Ketoisovalerate
Groups experimental
Synonyms
  • Isopropylglyoxylic acid
  • alpha-Ketoisovalerate
  • 2-Keto-3-methylbutyric acid
  • α-oxo-β-methylbutyricacid
  • 2-Ketoisovaleric acid
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
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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