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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:30023 -
trans
-sinapate
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ChEBI Ontology
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ChEBI Name
trans
-sinapate
ChEBI ID
CHEBI:30023
ChEBI ASCII Name
trans-sinapate
Definition
A member of the class of cinnamates that is the conjugate base of
trans
-sinapic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:26680, CHEBI:15085
Supplier Information
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Formula
C11H11O5
Net Charge
-1
Average Mass
223.20204
Monoisotopic Mass
223.06120
InChI
InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/p-1/b4-3+
InChIKey
PCMORTLOPMLEFB-ONEGZZNKSA-M
SMILES
COc1cc(cc(OC)c1O)\C=C\C([O-])=O
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
trans
-sinapate (
CHEBI:30023
)
has role
plant metabolite (
CHEBI:76924
)
trans
-sinapate (
CHEBI:30023
)
is a
cinnamates (
CHEBI:36091
)
trans
-sinapate (
CHEBI:30023
)
is conjugate base of
trans
-sinapic acid (
CHEBI:15714
)
Incoming
trans
-sinapoyl-AMP(1−) (
CHEBI:192469
)
has functional parent
trans
-sinapate (
CHEBI:30023
)
trans
-sinapic acid (
CHEBI:15714
)
is conjugate acid of
trans
-sinapate (
CHEBI:30023
)
IUPAC Name
(2
E
)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Synonyms
Sources
(
E
)-sinapate
UniProt
3,5-dimethoxy-4-hydroxycinnamate
ChEBI
Sinapate
KEGG COMPOUND
Last Modified
23 May 2022