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CHEBI:169981 - trans,trans-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid

ChEBI IDCHEBI:169981
ChEBI Nametrans,trans-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid
Stars
ASCII Nametrans,trans-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 trans-configuration.
Last Modified21 April 2021
SubmitterAdnan
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-JYZMYEGWSA-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)
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)
trans,trans-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid (CHEBI:169981) is conjugate acid of trans,trans-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate (CHEBI:169982)
Incoming Relation(s)
trans,trans-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoate (CHEBI:169982) is conjugate base of trans,trans-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid (CHEBI:169981)
IUPAC Name 
(2E,4E)-2,4-dihydroxy-5-methyl-6-oxohexa-2,4-dienoic acid
Synonym  Source
(E,E)-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acidChEBI