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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:47928 -
trans
-3-coumarate
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ChEBI Name
trans
-3-coumarate
ChEBI ID
CHEBI:47928
ChEBI ASCII Name
trans-3-coumarate
Definition
A 3-coumarate that is the conjugate base of
trans
-3-coumaric acid.
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/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/p-1/b5-4+
InChIKey
KKSDGJDHHZEWEP-SNAWJCMRSA-M
SMILES
Oc1cccc(\C=C\C([O-])=O)c1
Roles Classification
Biological Role
(s):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
trans
-3-coumarate (
CHEBI:47928
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
trans
-3-coumarate (
CHEBI:47928
)
has role
plant metabolite (
CHEBI:76924
)
trans
-3-coumarate (
CHEBI:47928
)
is a
3-coumarate (
CHEBI:47927
)
trans
-3-coumarate (
CHEBI:47928
)
is conjugate base of
trans
-3-coumaric acid (
CHEBI:32357
)
Incoming
trans
-3-coumaric acid (
CHEBI:32357
)
is conjugate acid of
trans
-3-coumarate (
CHEBI:47928
)
IUPAC Name
(2
E
)-3-(3-hydroxyphenyl)prop-2-enoate
Synonyms
Sources
(2
E
)-3-(3-hydroxyphenyl)acrylate
ChEBI
(2
E
)-3-(3-hydroxyphenyl)prop-2-enoate
UniProt
Registry Number
Type
Source
2245729
Gmelin Registry Number
Gmelin
Last Modified
10 April 2017