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CHEBI:16530 - 3-methyl-2-oxobutanoic acid

ChEBI IDCHEBI:16530
ChEBI Name3-methyl-2-oxobutanoic acid
Stars
DefinitionA 2-oxo monocarboxylic acid that is the 2-oxo derivative of isovaleric acid.
Secondary ChEBI IDsCHEBI:1584, CHEBI:20115, CHEBI:43714
Last Modified22 April 2022
DownloadsMolfile

FormulaC5H8O3
Net Charge0
Average Mass116.116
Monoisotopic Mass116.04734
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

Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (7021997)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (9748245)
Roles Classification

ChEBI Ontology
IUPAC Name 
3-methyl-2-oxobutanoic acid
Synonyms  Source
3-Methyl-2-oxobutyric acidKEGG COMPOUND
alpha-KetovalineKEGG COMPOUND
2-KetovalineKEGG COMPOUND
2-Keto-3-methylbutyric acidKEGG COMPOUND
3-Methyl-2-oxobutanoic acidKEGG COMPOUND
3-METHYL-2-OXOBUTANOIC ACIDPDBeChem
Manual XrefsDatabases
C00141KEGG COMPOUND
KIVPDBeChem
LMFA01020274LIPID MAPS
HMDB0000019HMDB
2-KETO-ISOVALERATEMetaCyc
DB04074DrugBank
C00007623KNApSAcK
Registry NumbersSources
Reaxys:1744951Reaxys
CAS:759-05-7ChemIDplus
CAS:759-05-7KEGG COMPOUND
Citations