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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-methyl-2-oxobutanoic acid
ChEBI ID CHEBI:16530
Definition A 2-oxo monocarboxylic acid that is the 2-oxo derivative of isovaleric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20115, CHEBI:43714, CHEBI:1584
Supplier Information
Save molfile Download Molfile
Formula C5H8O3
Net Charge 0
Average Mass 116.11520
Monoisotopic Mass 116.047
InChI InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)
InChIKey QHKABHOOEWYVLI-UHFFFAOYSA-N
SMILES CC(C)C(=O)C(O)=O
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:4932) See: PubMed
Homo sapiens (NCBI:9606) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): 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 ).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 conjugate acid of 3-methyl-2-oxobutanoate (CHEBI:11851)
Incoming 3-methyl-2-oxobutanoate (CHEBI:11851) is conjugate base of 3-methyl-2-oxobutanoic acid (CHEBI:16530)
IUPAC Name
3-methyl-2-oxobutanoic acid
Synonyms Sources
2-Keto-3-methylbutyric acid KEGG COMPOUND
2-Ketoisovaleric acid HMDB
2-Ketovaline KEGG COMPOUND
2-Oxo-3-methylbutanoic acid HMDB
2-Oxo-3-methylbutyric acid HMDB
2-Oxoisovaleric acid HMDB
3-Methyl-2-oxobutanoate KEGG COMPOUND
3-Methyl-2-oxobutanoic acid KEGG COMPOUND
3-METHYL-2-OXOBUTANOIC ACID PDBeChem
3-Methyl-2-oxobutyric acid KEGG COMPOUND
α-keto-isovaleric acid HMDB
alpha-Ketovaline KEGG COMPOUND
α-oxo-β-methylbutyricacid HMDB
α-oxoisovaleric acid HMDB
Dimethylpyruvic acid HMDB
Isopropylglyoxylic acid HMDB
Database Links Databases
2-KETO-ISOVALERATE MetaCyc
C00007623 KNApSAcK
C00141 KEGG COMPOUND
DB04074 DrugBank
HMDB00019 HMDB
KIV PDBeChem
LMFA01020274 LIPID MAPS
View more database links
Registry Numbers Types Sources
1744951 Reaxys Registry Number Reaxys
759-05-7 CAS Registry Number KEGG COMPOUND
759-05-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17190852 PubMed citation Europe PMC
192504 PubMed citation Europe PMC
7021997 PubMed citation Europe PMC
Last Modified
23 October 2015