EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:32373 - 4-coumarate

ChEBI IDCHEBI:32373
ChEBI Name4-coumarate
Stars
DefinitionA coumarate that is the conjugate base of 4-coumaric acid.
Secondary ChEBI IDsCHEBI:11978, CHEBI:12007, CHEBI:20347
Last Modified27 August 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC9H7O3
Net Charge-1
Average Mass163.152
Monoisotopic Mass163.04007
SMILES[H]C(=Cc1ccc(O)cc1)C(=O)[O-]
InChIInChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/p-1
InChIKeyNGSWKAQJJWESNS-UHFFFAOYSA-M
Roles Classification
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)
4-coumarate (CHEBI:32373) has role plant metabolite (CHEBI:76924)
4-coumarate (CHEBI:32373) is a coumarate (CHEBI:23399)
4-coumarate (CHEBI:32373) is conjugate base of 4-coumaric acid (CHEBI:36090)
Incoming Relation(s)
4-O-β-D-glucosyl-4-coumarate (CHEBI:47893) has functional parent 4-coumarate (CHEBI:32373)
trans-4-coumarate (CHEBI:12876) is a 4-coumarate (CHEBI:32373)
4-coumaric acid (CHEBI:36090) is conjugate acid of 4-coumarate (CHEBI:32373)
IUPAC Name 
3-(4-hydroxyphenyl)prop-2-enoate
Synonyms  Source
p-coumarateChEBI
3-(4-hydroxyphenyl)acrylateChEBI
4-hydroxycinnamate anionChEBI
UniProt Name  Source
4-coumarateUniProt
Registry NumbersSources
Gmelin:2565912Gmelin
Reaxys:12142331Reaxys