CHEBI:90886 - 2-hydroxy-6-oxo-2,4-heptadienoic acid

ChEBI IDCHEBI:90886
ChEBI Name2-hydroxy-6-oxo-2,4-heptadienoic acid
Stars
DefinitionAn α,β-unsaturated monocarboxylic acid that is 2,4-heptadienoic acid substituted by hydroxy and oxo groups at positions 2 and 6 respectively.
Secondary ChEBI IDCHEBI:1132
Last Modified14 August 2019
SubmitterAnne Morgat
DownloadsMolfile
FormulaC7H8O4
Net Charge0
Average Mass156.137
Monoisotopic Mass156.04226
SMILESCC(=O)C=CC=C(O)C(=O)O
InChIInChI=1S/C7H8O4/c1-5(8)3-2-4-6(9)7(10)11/h2-4,9H,1H3,(H,10,11)
InChIKeyHVZGWILTESYJSP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas sp. (ncbitaxon:306) - PubMed (16347440) Strain: T2
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-6-oxo-2,4-heptadienoic acid (CHEBI:90886) has role bacterial xenobiotic metabolite (CHEBI:76976)
2-hydroxy-6-oxo-2,4-heptadienoic acid (CHEBI:90886) is a enone (CHEBI:51689)
2-hydroxy-6-oxo-2,4-heptadienoic acid (CHEBI:90886) is a hydroxy monocarboxylic acid (CHEBI:35868)
2-hydroxy-6-oxo-2,4-heptadienoic acid (CHEBI:90886) is a oxo monocarboxylic acid (CHEBI:35871)
2-hydroxy-6-oxo-2,4-heptadienoic acid (CHEBI:90886) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
2-hydroxy-6-oxo-2,4-heptadienoic acid (CHEBI:90886) is conjugate acid of 2-hydroxy-6-oxo-2,4-heptadienoate (CHEBI:90887)
Incoming Relation(s)
(2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid (CHEBI:144513) is a 2-hydroxy-6-oxo-2,4-heptadienoic acid (CHEBI:90886)
2-hydroxy-6-oxo-2,4-heptadienoate (CHEBI:90887) is conjugate base of 2-hydroxy-6-oxo-2,4-heptadienoic acid (CHEBI:90886)
Synonyms  Source
2-hydroxy-6-oxohepta-2,4-dienoic acidChEBI
2-hydroxy-6-keto-2,4 heptadienoic acidChEBI
Manual XrefsDatabases
C06210KEGG COMPOUND
CPD-8782MetaCyc
Registry NumbersSources
Reaxys:9386549Reaxys
CAS:7244-95-3ChemIDplus
Citations