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CHEBI:229702 - 4-oxocyclohex-2-ene-1-carboxylate

ChEBI IDCHEBI:229702
ChEBI Name4-oxocyclohex-2-ene-1-carboxylate
Stars
DefinitionA cyclohexenecarboxylate that is the conjugate base of 4-oxocyclohex-2-ene-1-carboxylic acid resulting from the deprotonation of the carboxy group; Major microspecies at pH 7.3.
Last Modified14 March 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC7H7O3
Net Charge-1
Average Mass139.130
Monoisotopic Mass139.04007
SMILESO=C1C=CC(C(=O)[O-])CC1
InChIInChI=1S/C7H8O3/c8-6-3-1-5(2-4-6)7(9)10/h1,3,5H,2,4H2,(H,9,10)/p-1
InChIKeyJBSILJIXXSXXTF-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-oxocyclohex-2-ene-1-carboxylate (CHEBI:229702) has functional parent 4-oxocyclohexanecarboxylate (CHEBI:15777)
4-oxocyclohex-2-ene-1-carboxylate (CHEBI:229702) is a 5-oxo monocarboxylic acid anion (CHEBI:35975)
4-oxocyclohex-2-ene-1-carboxylate (CHEBI:229702) is a cyclohexenecarboxylate (CHEBI:36126)
4-oxocyclohex-2-ene-1-carboxylate (CHEBI:229702) is conjugate base of 4-oxocyclohex-2-ene-1-carboxylic acid (CHEBI:229775)
Incoming Relation(s)
4-oxocyclohex-2-ene-1-carboxylic acid (CHEBI:229775) is conjugate acid of 4-oxocyclohex-2-ene-1-carboxylate (CHEBI:229702)
IUPAC Name 
4-oxocyclohex-2-ene-1-carboxylate
Synonym  Source
4-oxo-2-cyclohexene-1-carboxylateChEBI
UniProt Name  Source
4-oxocyclohex-2-ene-1-carboxylateUniProt
Manual XrefsDatabases
CPD-26864MetaCyc
Citations