CHEBI:30831 - 2-oxobutanoic acid

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ChEBI Name 2-oxobutanoic acid
ChEBI ID CHEBI:30831
Definition A 2-oxo monocarboxylic acid that is the 2-oxo derivative of butanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:39748, CHEBI:19743, CHEBI:1250
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Formula C4H6O3
Net Charge 0
Average Mass 102.08860
Monoisotopic Mass 102.032
InChI InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
InChIKey TYEYBOSBBBHJIV-UHFFFAOYSA-N
SMILES CCC(=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 2-oxobutanoic acid (CHEBI:30831) has functional parent butyric acid (CHEBI:30772)
2-oxobutanoic acid (CHEBI:30831) is a 2-oxo monocarboxylic acid (CHEBI:35910)
2-oxobutanoic acid (CHEBI:30831) is a short-chain fatty acid (CHEBI:26666)
2-oxobutanoic acid (CHEBI:30831) is conjugate acid of 2-oxobutanoate (CHEBI:16763)
Incoming 2-oxobutanoate (CHEBI:16763) is conjugate base of 2-oxobutanoic acid (CHEBI:30831)
IUPAC Name
2-oxobutanoic acid
Synonyms Sources
2-Ketobutanoic acid HMDB
2-Ketobutyric acid KEGG COMPOUND
2-KETOBUTYRIC ACID PDBeChem
2-Oxobutanoic acid KEGG COMPOUND
2-Oxobutyric acid KEGG COMPOUND
3-methyl pyruvic acid ChEBI
alpha-Ketobutyrate KEGG COMPOUND
alpha-Ketobutyric acid KEGG COMPOUND
α-ketobutyric acid NIST Chemistry WebBook
α-oxo-n-butyric acid NIST Chemistry WebBook
Database Links Databases
2-OXOBUTANOATE MetaCyc
2KT PDBeChem
Alpha-Ketobutyric_acid Wikipedia
C00019675 KNApSAcK
C00109 KEGG COMPOUND
DB04553 DrugBank
HMDB00005 HMDB
LMFA01060002 LIPID MAPS
View more database links
Registry Numbers Types Sources
1700514 Beilstein Registry Number Beilstein
1700514 Reaxys Registry Number Reaxys
600-18-0 CAS Registry Number KEGG COMPOUND
600-18-0 CAS Registry Number NIST Chemistry WebBook
600-18-0 CAS Registry Number ChemIDplus
601216 Gmelin Registry Number Gmelin
Last Modified
23 October 2015