EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:17844 - 2-amino-3-oxobutanoic acid

ChEBI IDCHEBI:17844
ChEBI Name2-amino-3-oxobutanoic acid
Stars
DefinitionAn α-amino acid that is acetoacetic acid which is substituted by an amino group at position 2.
Secondary ChEBI IDsCHEBI:998, CHEBI:11507
Last Modified7 January 2019
DownloadsMolfile
FormulaC4H7NO3
Net Charge0
Average Mass117.104
Monoisotopic Mass117.04259
SMILESCC(=O)C(N)C(=O)O
InChIInChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)
InChIKeySAUCHDKDCUROAO-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-amino-3-oxobutanoic acid (CHEBI:17844) has functional parent butyric acid (CHEBI:30772)
2-amino-3-oxobutanoic acid (CHEBI:17844) is a 3-oxo monocarboxylic acid (CHEBI:47881)
2-amino-3-oxobutanoic acid (CHEBI:17844) is a non-proteinogenic α-amino acid (CHEBI:83925)
Incoming Relation(s)
L-2-amino-3-oxobutanoic acid (CHEBI:40673) is a 2-amino-3-oxobutanoic acid (CHEBI:17844)
IUPAC Name 
2-amino-3-oxobutanoic acid
Synonyms  Source
2-amino-3-ketobutyrateChemIDplus
2-Amino-3-oxobutanoateKEGG COMPOUND
2-Amino-acetoacetateKEGG COMPOUND
Manual XrefsDatabases
C03214KEGG COMPOUND
Registry NumbersSources
CAS:6531-42-6ChemIDplus