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CHEBI:169980 - cis,cis-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate

ChEBI IDCHEBI:169980
ChEBI Namecis,cis-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate
Stars
ASCII Namecis,cis-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate
DefinitionA hydroxy monocarboxylic acid anion that is the conjugate base of cis,cis-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
SubmitterAdnan
DownloadsMolfile
FormulaC7H7O5
Net Charge-1
Average Mass171.128
Monoisotopic Mass171.02990
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)/p-1/b5-4-,6-2-
InChIKeyYKJSDORVRVLNNE-CBQDQPCPSA-M
Roles Classification
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-hexadienoate (CHEBI:169980) is a 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate (CHEBI:85578)
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)
Incoming Relation(s)
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)
IUPAC Name 
(2Z,4Z)-2,4-dihydroxy-5-methyl-6-oxohexa-2,4-dienoate
Synonym  Source
(Z,Z)-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoateChEBI