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CHEBI:90887 - 2-hydroxy-6-oxo-2,4-heptadienoate

ChEBI IDCHEBI:90887
ChEBI Name2-hydroxy-6-oxo-2,4-heptadienoate
Stars
DefinitionA 6-oxo monocarboxylic acid anion that is the conjugate base of 2-hydroxy-6-oxo-2,4-heptadienoic acid, obtained by deprotonation of the carboxy group. Major species at pH 7.3.
Last Modified14 August 2019
SubmitterAnne Morgat
DownloadsMolfile
FormulaC7H7O4
Net Charge-1
Average Mass155.129
Monoisotopic Mass155.03498
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)/p-1
InChIKeyHVZGWILTESYJSP-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Pseudomonas sp. (ncbitaxon:306) - PubMed (16347440) Strain: T2
Roles Classification
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-heptadienoate (CHEBI:90887) has role bacterial xenobiotic metabolite (CHEBI:76976)
2-hydroxy-6-oxo-2,4-heptadienoate (CHEBI:90887) is a 6-oxo monocarboxylic acid anion (CHEBI:35976)
2-hydroxy-6-oxo-2,4-heptadienoate (CHEBI:90887) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
2-hydroxy-6-oxo-2,4-heptadienoate (CHEBI:90887) is conjugate base of 2-hydroxy-6-oxo-2,4-heptadienoic acid (CHEBI:90886)
Incoming Relation(s)
(2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoate (CHEBI:144490) is a 2-hydroxy-6-oxo-2,4-heptadienoate (CHEBI:90887)
2-hydroxy-6-oxo-2,4-heptadienoic acid (CHEBI:90886) is conjugate acid of 2-hydroxy-6-oxo-2,4-heptadienoate (CHEBI:90887)
IUPAC Name 
2-hydroxy-6-oxohepta-2,4-dienoate
Synonyms  Source
2-hydroxy-6-ketohepta-2,4-dienoateChEBI
2-hydroxy-6-keto-2,4-heptadienoateSUBMITTER
UniProt Name  Source
2-hydroxy-6-oxo-2,4-heptadienoateUniProt
Manual XrefsDatabases
CPD-8782MetaCyc
Registry NumbersSources
Reaxys:23974989Reaxys
Citations