EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:37318 - 2-oxopent-4-enoic acid

ChEBI IDCHEBI:37318
ChEBI Name2-oxopent-4-enoic acid
Stars
Last Modified29 February 2008
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC5H6O3
Net Charge0
Average Mass114.100
Monoisotopic Mass114.03169
SMILESC=CCC(=O)C(=O)O
InChIInChI=1S/C5H6O3/c1-2-3-4(6)5(7)8/h2H,1,3H2,(H,7,8)
InChIKeyNOXRYJAWRSNUJD-UHFFFAOYSA-N
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-oxopent-4-enoic acid (CHEBI:37318) has functional parent pent-4-enoic acid (CHEBI:35936)
2-oxopent-4-enoic acid (CHEBI:37318) is a 2-oxo monocarboxylic acid (CHEBI:35910)
2-oxopent-4-enoic acid (CHEBI:37318) is conjugate acid of 2-oxopent-4-enoate (CHEBI:11641)
2-oxopent-4-enoic acid (CHEBI:37318) is tautomer of 2-hydroxypenta-2,4-dienoic acid (CHEBI:18355)
Incoming Relation(s)
2-oxopent-4-enoate (CHEBI:11641) is conjugate base of 2-oxopent-4-enoic acid (CHEBI:37318)
2-hydroxypenta-2,4-dienoic acid (CHEBI:18355) is tautomer of 2-oxopent-4-enoic acid (CHEBI:37318)
IUPAC Name 
2-oxopent-4-enoic acid
Synonyms  Source
2-keto-4-pentenoic acidChemIDplus
2-oxo-4-pentenoic acidChemIDplus
Registry NumbersSources
Beilstein:1851398Beilstein
CAS:20406-62-6ChemIDplus