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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(4,6-dihydroxy-3-oxocyclohexa-1,4-dien-1-yl)acrylic acid
ChEBI ID CHEBI:133314
Definition An α,β-unsaturated monocarboxylic acid that is acrylic acid in which one of the olefinic hydrogens at position 3 has been replaced by a 4,6-dihydroxy-3-oxocyclohexa-1,4-dien-1-yl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H8O5
Net Charge 0
Average Mass 196.157
Monoisotopic Mass 196.03717
InChI InChI=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)
InChIKey ZDUUJTSRZWILGW-UHFFFAOYSA-N
SMILES OC1C(=CC(=O)C(O)=C1)C=CC(O)=O
Metabolite of Species Details
Glycine max (NCBI:txid3847) See: MetaboLights Study
Glycine max (NCBI:txid3847) See: MetaboLights Study
Glycine max (NCBI:txid3847) See: PubMed
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): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 α,β-unsaturated monocarboxylic acid (CHEBI:79020)
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)
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-dienone ChEBI
Last Modified
17 February 2017