CHEBI:12876 - trans-4-coumarate

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ChEBI Name trans-4-coumarate
ChEBI ID CHEBI:12876
ChEBI ASCII Name trans-4-coumarate
Definition The trans-isomer of 4-coumarate.
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/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/p-1/b6-3+
InChIKey NGSWKAQJJWESNS-ZZXKWVIFSA-M
SMILES Oc1ccc(cc1)\C=C\C([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
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.
(via 4-coumarate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing trans-4-coumarate (CHEBI:12876) has role plant metabolite (CHEBI:76924)
trans-4-coumarate (CHEBI:12876) is a 4-coumarate (CHEBI:32373)
trans-4-coumarate (CHEBI:12876) is conjugate base of trans-4-coumaric acid (CHEBI:32374)
Incoming trans-4-coumaric acid (CHEBI:32374) is conjugate acid of trans-4-coumarate (CHEBI:12876)
IUPAC Name
(2E)-3-(4-hydroxyphenyl)prop-2-enoate
Synonyms Sources
(2E)-3-(4-hydroxyphenyl)acrylate ChEBI
trans-4-coumarate UniProt
trans-p-coumarate ChEBI
Manual Xref Database
COUMARATE MetaCyc
View more database links
Registry Numbers Types Sources
2148756 Gmelin Registry Number Gmelin
5513651 Beilstein Registry Number Beilstein
5513651 Reaxys Registry Number Reaxys
Last Modified
16 July 2014