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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
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
3-methyl-2-oxobutanoic acid (CHEBI:16530) has functional parent butyric acid (CHEBI:30772)
3-methyl-2-oxobutanoic acid (CHEBI:16530) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
3-methyl-2-oxobutanoic acid (CHEBI:16530) has role human metabolite (CHEBI:77746)
3-methyl-2-oxobutanoic acid (CHEBI:16530) is a 2-oxo monocarboxylic acid (CHEBI:35910)
3-methyl-2-oxobutanoic acid (CHEBI:16530) is a branched-chain keto acid (CHEBI:191197)
3-methyl-2-oxobutanoic acid (CHEBI:16530) is conjugate acid of 3-methyl-2-oxobutanoate (CHEBI:11851)
3-methyl-2-oxobutanoic acid (CHEBI:16530) is tautomer of 2-hydroxy-3-methyl-2-butenoic acid (CHEBI:132177)
Incoming Relation(s)
3-methyl-2-oxobutanoate (CHEBI:11851) is conjugate base of 3-methyl-2-oxobutanoic acid (CHEBI:16530)
2-hydroxy-3-methyl-2-butenoic acid (CHEBI:132177) is tautomer of 3-methyl-2-oxobutanoic acid (CHEBI:16530)
IUPAC Name 
3-methyl-2-oxobutanoic acid
Synonyms  Source
2-Keto-3-methylbutyric acidKEGG COMPOUND
2-Ketoisovaleric acidHMDB
2-KetovalineKEGG COMPOUND
2-Oxo-3-methylbutanoic acidHMDB
2-Oxo-3-methylbutyric acidHMDB
2-Oxoisovaleric acidHMDB
Manual XrefsDatabases
2-KETO-ISOVALERATEMetaCyc
C00007623KNApSAcK
C00141KEGG COMPOUND
DB04074DrugBank
HMDB0000019HMDB
KIVPDBeChem
LMFA01020274LIPID MAPS
Registry NumbersSources
Reaxys:1744951Reaxys
CAS:759-05-7ChemIDplus
CAS:759-05-7KEGG COMPOUND
Citations