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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name trans,trans-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid
ChEBI ID CHEBI:169981
ChEBI ASCII Name trans,trans-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid
Definition A 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid in which both double bonds adopt a trans-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H8O5
Net Charge 0
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)/b5-4+,6-2+
InChIKey YKJSDORVRVLNNE-JYZMYEGWSA-N
SMILES [H]C(=O)C(\C)=C(\O)/C=C(/O)C(O)=O
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.
(via 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 acid ChEBI
Last Modified
21 April 2021