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CHEBI:85913 - 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid

Default Structure
ChEBI IDCHEBI:85913
ChEBI Name2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid
Stars
DefinitionA dihydroxy monocarboxylic acid that is 2,4-dihydroxy-2,4-hexadienoic acid bearing additional methyl and oxo substituents at positions 5 and 6 respectively.
Last Modified21 April 2021
SubmitterSteve
DownloadsMolfile
FormulaC7H8O5
Net Charge0
Average Mass172.136
Monoisotopic Mass172.03717
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)
InChIKeyYKJSDORVRVLNNE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Burkholderia sp. (ncbitaxon:36773) - PubMed (9922262) Strain: DNT
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)
2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid (CHEBI:85913) has role bacterial xenobiotic metabolite (CHEBI:76976)
2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid (CHEBI:85913) is a dihydroxy monocarboxylic acid (CHEBI:35972)
2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid (CHEBI:85913) is a muconic semialdehyde (CHEBI:38436)
2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid (CHEBI:85913) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
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)
Incoming Relation(s)
cis,cis-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid (CHEBI:81669) is a 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid (CHEBI:85913)
trans,trans-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid (CHEBI:169981) is a 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid (CHEBI:85913)
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)
IUPAC Name 
2,4-dihydroxy-5-methyl-6-oxohexa-2,4-dienoic acid
Citations