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CHEBI:64675 - 2,6-dioxo-6-phenylhexa-3-enoate

Default Structure
ChEBI IDCHEBI:64675
ChEBI Name2,6-dioxo-6-phenylhexa-3-enoate
Stars
DefinitionA dioxo monocarboxylic acid anion that is the conjugate base of 2,6-dioxo-6-phenylhexa-3-enoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
Last Modified23 August 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H9O4
Net Charge-1
Average Mass217.200
Monoisotopic Mass217.05063
SMILES[H]C(=CC(=O)C(=O)[O-])CC(=O)c1ccccc1
InChIInChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-6,8H,7H2,(H,15,16)/p-1
InChIKeyQPGAZPBFRAAJBD-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2,6-dioxo-6-phenylhexa-3-enoate (CHEBI:64675) is a dioxo monocarboxylic acid anion (CHEBI:35979)
2,6-dioxo-6-phenylhexa-3-enoate (CHEBI:64675) is conjugate base of 2,6-dioxo-6-phenylhexa-3-enoic acid (CHEBI:64687)
2,6-dioxo-6-phenylhexa-3-enoate (CHEBI:64675) is tautomer of 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate (CHEBI:58284)
Incoming Relation(s)
2,6-dioxo-6-phenylhexa-3-enoic acid (CHEBI:64687) is conjugate acid of 2,6-dioxo-6-phenylhexa-3-enoate (CHEBI:64675)
2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate (CHEBI:58284) is tautomer of 2,6-dioxo-6-phenylhexa-3-enoate (CHEBI:64675)
IUPAC Name 
2,6-dioxo-6-phenylhexa-3-enoate
Synonym  Source
2,6-dioxo-6-phenylhexa-3-enoic acid(1−)ChEBI
UniProt Name  Source
2,6-dioxo-6-phenylhexa-3-enoateUniProt
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