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

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ChEBI Name	2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid

ChEBI ID	CHEBI:85913

Definition	A dihydroxy monocarboxylic acid that is 2,4-dihydroxy-2,4-hexadienoic acid bearing additional methyl and oxo substituents at positions 5 and 6 respectively.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C7H8O5

Net Charge

Average Mass

172.136

Monoisotopic Mass

172.03717

InChI

InChI=1S/C7H8O5/c1-4(3-8)5(9)2-6(10)7(11)12/h2-3,9-10H,1H3,(H,11,12)

InChIKey

YKJSDORVRVLNNE-UHFFFAOYSA-N

SMILES

[H]C(=O)C(C)=C(O)C([H])=C(O)C(O)=O

Metabolite of Species	Details
Burkholderia sp. (NCBI:txid36773)	of strain DNT See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.

ChEBI Ontology
Outgoing	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 α,β-unsaturated monocarboxylic acid (CHEBI:79020) 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 conjugate acid of 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate (CHEBI:85578)

Incoming	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

Last Modified

21 April 2021