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CHEBI:17820 - 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid

Default Structure
ChEBI IDCHEBI:17820
ChEBI Name2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
Stars
DefinitionPenta-2,4-dienoic acid in which the hydrogen at position 2 is substituted by hydroxy and one of the hydrogens at position 5 is substituted by a benzoyl group. It is a metabolic product of biphenyl from Pseudomonas putida.
Secondary ChEBI IDsCHEBI:1137, CHEBI:11458, CHEBI:11587, CHEBI:11588, CHEBI:19619
Last Modified3 August 2014
DownloadsMolfile
FormulaC12H10O4
Net Charge0
Average Mass218.208
Monoisotopic Mass218.05791
SMILES[H]C(=CC(=O)c1ccccc1)C=C(O)C(=O)O
InChIInChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-8,14H,(H,15,16)
InChIKeyRDRDHXDYMGUCKE-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-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid (CHEBI:17820) has functional parent sorbic acid (CHEBI:35962)
2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid (CHEBI:17820) is a 2-hydroxy monocarboxylic acid (CHEBI:49302)
2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid (CHEBI:17820) is a 6-oxo monocarboxylic acid (CHEBI:35960)
2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid (CHEBI:17820) is a aromatic ketone (CHEBI:76224)
2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid (CHEBI:17820) is a enol (CHEBI:33823)
2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid (CHEBI:17820) is a enone (CHEBI:51689)
2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid (CHEBI:17820) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid (CHEBI:17820) is conjugate acid of 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate (CHEBI:58284)
2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid (CHEBI:17820) is tautomer of 2,6-dioxo-6-phenylhexa-3-enoic acid (CHEBI:64687)
Incoming Relation(s)
2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate (CHEBI:58284) is conjugate base of 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid (CHEBI:17820)
2,6-dioxo-6-phenylhexa-3-enoic acid (CHEBI:64687) is tautomer of 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid (CHEBI:17820)
IUPAC Name 
2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
Synonyms  Source
2,6-Dioxo-6-phenylhexa-3-enoateKEGG COMPOUND
2-hydroxy-6-oxo-6-phenyl-2,4-hexadienoic acidChemIDplus
2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoateKEGG COMPOUND
HDPAChEBI
HOPDAChemIDplus
Manual XrefsDatabases
C01273KEGG COMPOUND
C01273KEGG COMPOUND
c0374UM-BBD
Registry NumbersSources
Beilstein:2723676Beilstein
CAS:50480-67-6ChemIDplus