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CHEBI:30831 - 2-oxobutanoic acid

Default Structure
ChEBI IDCHEBI:30831
ChEBI Name2-oxobutanoic acid
Stars
DefinitionA 2-oxo monocarboxylic acid that is the 2-oxo derivative of butanoic acid.
Secondary ChEBI IDsCHEBI:1250, CHEBI:19743, CHEBI:39748
Last Modified23 October 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC4H6O3
Net Charge0
Average Mass102.089
Monoisotopic Mass102.03169
SMILESCCC(=O)C(=O)O
InChIInChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
InChIKeyTYEYBOSBBBHJIV-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
2-Ketobutanoic acidHMDB
2-Ketobutyric acidKEGG COMPOUND
2-KETOBUTYRIC ACIDPDBeChem
2-Oxobutanoic acidKEGG COMPOUND
2-Oxobutyric acidKEGG COMPOUND
3-methyl pyruvic acidChEBI
Manual XrefsDatabases
2KTPDBeChem
2-OXOBUTANOATEMetaCyc
Alpha-Ketobutyric_acidWikipedia
C00019675KNApSAcK
C00109KEGG COMPOUND
DB04553DrugBank
HMDB0000005HMDB
LMFA01060002LIPID MAPS
Registry NumbersSources
Reaxys:1700514Reaxys
Gmelin:601216Gmelin
CAS:600-18-0NIST Chemistry WebBook
CAS:600-18-0ChemIDplus
CAS:600-18-0KEGG COMPOUND