EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:38351 - 2-oxohex-4-enoate

ChEBI IDCHEBI:38351
ChEBI Name2-oxohex-4-enoate
Stars
Last Modified25 May 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H7O3
Net Charge-1
Average Mass127.119
Monoisotopic Mass127.04007
SMILES[H]C(C)=CCC(=O)C(=O)[O-]
InChIInChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2-3H,4H2,1H3,(H,8,9)/p-1
InChIKeyXGNKMQBCAVIQOR-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2-oxohex-4-enoate (CHEBI:38351) is a 2-oxo monocarboxylic acid anion (CHEBI:35179)
2-oxohex-4-enoate (CHEBI:38351) is conjugate base of 2-oxohex-4-enoic acid (CHEBI:38353)
Incoming Relation(s)
cis-2-oxohex-4-enoate (CHEBI:38354) is a 2-oxohex-4-enoate (CHEBI:38351)
trans-2-oxohex-4-enoate (CHEBI:19751) is a 2-oxohex-4-enoate (CHEBI:38351)
2-oxohex-4-enoic acid (CHEBI:38353) is conjugate acid of 2-oxohex-4-enoate (CHEBI:38351)
IUPAC Name 
2-oxohex-4-enoate
Synonym  Source
2-oxo-4-hexenoateChEBI