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 No supplier information found for this compound.
Download Molfile XML SDF
Formula C9H7O3
Net Charge -1
Average Mass 163.15008
Monoisotopic Mass 163.04007
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-coumaroyl-AMP(1−) (CHEBI:192348) has functional parent trans-4-coumarate (CHEBI:12876)
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
(E)-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 Reaxys Registry Number Reaxys
Last Modified
18 July 2020