CHEBI:47927 - 3-coumarate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-coumarate
ChEBI ID CHEBI:47927
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H7O3
Net Charge -1
Average Mass 163.15008
Monoisotopic Mass 163.040
InChI InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/p-1
InChIKey KKSDGJDHHZEWEP-UHFFFAOYSA-M
SMILES [H]C(=Cc1cccc(O)c1)C([O-])=O
ChEBI Ontology
Outgoing 3-coumarate (CHEBI:47927) is a coumarate (CHEBI:23399)
3-coumarate (CHEBI:47927) is conjugate base of 3-coumaric acid (CHEBI:47925)
Incoming trans-3-coumarate (CHEBI:47928) is a 3-coumarate (CHEBI:47927)
3-coumaric acid (CHEBI:47925) is conjugate acid of 3-coumarate (CHEBI:47927)
IUPAC Name
3-(3-hydroxyphenyl)prop-2-enoate
Synonyms Sources
3-(3-hydroxyphenyl)acrylate ChEBI
3-coumarate UniProt
Last Modified
13 November 2017