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 102.03169
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)
2-oxobutanoyl group (CHEBI:149508) is substituent group from 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
Manual Xrefs Databases
2-OXOBUTANOATE MetaCyc
2KT PDBeChem
Alpha-Ketobutyric_acid Wikipedia
C00019675 KNApSAcK
C00109 KEGG COMPOUND
DB04553 DrugBank
HMDB0000005 HMDB
LMFA01060002 LIPID MAPS
View more database links
Registry Numbers Types Sources
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