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CHEBI:85578 - 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate

ChEBI IDCHEBI:85578
ChEBI Name2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate
Stars
DefinitionA hydroxy monocarboxylic acid anion that is the conjugate base of 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified21 April 2021
Submittergemma
DownloadsMolfile
FormulaC7H7O5
Net Charge-1
Average Mass171.128
Monoisotopic Mass171.02990
SMILES[H]C(=O)C(C)=C(O)C([H])=C(O)C(=O)[O-]
InChIInChI=1S/C7H8O5/c1-4(3-8)5(9)2-6(10)7(11)12/h2-3,9-10H,1H3,(H,11,12)/p-1
InChIKeyYKJSDORVRVLNNE-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Burkholderia sp. (ncbitaxon:36773) - PubMed (9922262) Strain: DNT
Roles Classification
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate (CHEBI:85578) has role bacterial xenobiotic metabolite (CHEBI:76976)
2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate (CHEBI:85578) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate (CHEBI:85578) is a oxo monocarboxylic acid anion (CHEBI:35902)
2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate (CHEBI:85578) is conjugate base of 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid (CHEBI:85913)
Incoming Relation(s)
cis,cis-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate (CHEBI:169980) is a 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate (CHEBI:85578)
trans,trans-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate (CHEBI:169982) is a 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate (CHEBI:85578)
2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid (CHEBI:85913) is conjugate acid of 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate (CHEBI:85578)
IUPAC Name 
2,4-dihydroxy-5-methyl-6-oxohexa-2,4-dienoate
Manual XrefsDatabases
CPD-9137MetaCyc
Citations