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CHEBI:133314 - 3-(4,6-dihydroxy-3-oxocyclohexa-1,4-dien-1-yl)acrylic acid

ChEBI IDCHEBI:133314
ChEBI Name3-(4,6-dihydroxy-3-oxocyclohexa-1,4-dien-1-yl)acrylic acid
Stars
DefinitionAn α,β-unsaturated monocarboxylic acid that is acrylic acid in which one of the olefinic hydrogens at position 3 has been replaced by a 4,6-dihydroxy-3-oxocyclohexa-1,4-dien-1-yl group.
Last Modified17 February 2017
Submittermwilliams
DownloadsMolfile
FormulaC9H8O5
Net Charge0
Average Mass196.158
Monoisotopic Mass196.03717
SMILESO=C(O)C=CC1=CC(=O)C(O)=CC1O
InChIInChI=1S/C9H8O5/c10-6-4-8(12)7(11)3-5(6)1-2-9(13)14/h1-4,6,10,12H,(H,13,14)
InChIKeyZDUUJTSRZWILGW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Glycine max (ncbitaxon:3847)
- MetaboLights (MTBLS118)
- MetaboLights (MTBLS117)
- PubMed (25369450)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
3-(4,6-dihydroxy-3-oxocyclohexa-1,4-dien-1-yl)acrylic acid (CHEBI:133314) has functional parent acrylic acid (CHEBI:18308)
3-(4,6-dihydroxy-3-oxocyclohexa-1,4-dien-1-yl)acrylic acid (CHEBI:133314) has role plant metabolite (CHEBI:76924)
3-(4,6-dihydroxy-3-oxocyclohexa-1,4-dien-1-yl)acrylic acid (CHEBI:133314) is a cyclohexenones (CHEBI:48953)
3-(4,6-dihydroxy-3-oxocyclohexa-1,4-dien-1-yl)acrylic acid (CHEBI:133314) is a enol (CHEBI:33823)
3-(4,6-dihydroxy-3-oxocyclohexa-1,4-dien-1-yl)acrylic acid (CHEBI:133314) is a enone (CHEBI:51689)
3-(4,6-dihydroxy-3-oxocyclohexa-1,4-dien-1-yl)acrylic acid (CHEBI:133314) is a secondary alcohol (CHEBI:35681)
3-(4,6-dihydroxy-3-oxocyclohexa-1,4-dien-1-yl)acrylic acid (CHEBI:133314) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
IUPAC Name 
3-(4,6-dihydroxy-3-oxocyclohexa-1,4-dien-1-yl)prop-2-enoic acid
Synonym  Source
3-(2-propenoic acid)-4,6-hydroxycyclohexa-2,5-dienoneChEBI