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ChEBI
> Main
CHEBI:12876 -
trans
-4-coumarate
Main
ChEBI Ontology
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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.
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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
(2
E
)-3-(4-hydroxyphenyl)prop-2-enoate
Synonyms
Sources
(2
E
)-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
Beilstein Registry Number
Beilstein
5513651
Reaxys Registry Number
Reaxys
Last Modified
18 July 2020