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CHEBI:81669 - cis,cis-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid

ChEBI IDCHEBI:81669
ChEBI Namecis,cis-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid
Stars
ASCII Namecis,cis-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid
DefinitionA 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid in which both double bonds adopt a cis-configuration.
Last Modified21 April 2021
DownloadsMolfile
FormulaC7H8O5
Net Charge0
Average Mass172.136
Monoisotopic Mass172.03717
SMILES[H]C(=O)/C(C)=C(O)/C=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)/b5-4-,6-2-
InChIKeyYKJSDORVRVLNNE-CBQDQPCPSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
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)
cis,cis-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid (CHEBI:81669) is conjugate acid of cis,cis-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate (CHEBI:169980)
Incoming Relation(s)
cis,cis-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate (CHEBI:169980) is conjugate base of cis,cis-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid (CHEBI:81669)
IUPAC Name 
(2Z,4Z)-2,4-dihydroxy-5-methyl-6-oxohexa-2,4-dienoic acid
Synonym  Source
(Z,Z)-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acidChEBI
Manual XrefsDatabases
C18318KEGG COMPOUND