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ChEBI
> Main
CHEBI:16353 - sinapine
Main
ChEBI Ontology
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ChEBI Name
sinapine
ChEBI ID
CHEBI:16353
Definition
An acylcholine in which the acyl group specified is sinapoyl.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:9156, CHEBI:15088, CHEBI:26682, CHEBI:26687
Supplier Information
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Formula
C16H24NO5
Net Charge
+1
Average Mass
310.36550
Monoisotopic Mass
310.16490
InChI
InChI=1S/C16H23NO5/c1-
17(2,3)
8-
9-
22-
15(18)
7-
6-
12-
10-
13(20-
4)
16(19)
14(11-
12)
21-
5/h6-
7,10-
11H,8-
9H2,1-
5H3/p+1
InChIKey
HUJXHFRXWWGYQH-UHFFFAOYSA-O
SMILES
COc1cc(cc(OC)c1O)\C=C\C(=O)OCC[N+](C)(C)C
Metabolite of Species
Details
Brassica napus
(NCBI:txid3708)
See:
PubMed
Roles Classification
Chemical Role
(s):
antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
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.
photosynthetic electron-transport chain inhibitor
Application
(s):
photosynthetic electron-transport chain inhibitor
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
sinapine (
CHEBI:16353
)
has functional parent
trans
-sinapic acid (
CHEBI:15714
)
sinapine (
CHEBI:16353
)
has role
antioxidant (
CHEBI:22586
)
sinapine (
CHEBI:16353
)
has role
photosynthetic electron-transport chain inhibitor (
CHEBI:26087
)
sinapine (
CHEBI:16353
)
has role
plant metabolite (
CHEBI:76924
)
sinapine (
CHEBI:16353
)
is a
acylcholine (
CHEBI:35287
)
IUPAC Name
2-
[(2
E
)-
3-
(4-
hydroxy-
3,5-
dimethoxyphenyl)prop-
2-
enoyloxy]-
N
,
N
,
N
-
trimethylethanaminium
Synonyms
Sources
2-(4-hydroxy-3,5-dimethoxycinnamoyloxy)-
N
,
N
,
N
-trimethylethanaminium
ChEBI
O-sinapoylcholine
ChEBI
O
-sinapoylcholine
UniProt
Sinapine
KEGG COMPOUND
Sinapoylcholine
KEGG COMPOUND
Sinapoylcholine
KEGG COMPOUND
Manual Xrefs
Databases
C00002777
KNApSAcK
C00933
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
18696-26-9
CAS Registry Number
KEGG COMPOUND
18696-26-9
CAS Registry Number
ChemIDplus
4933491
Reaxys Registry Number
Reaxys
Citations
Types
Sources
16827311
PubMed citation
Europe PMC
18589789
PubMed citation
Europe PMC
23030806
PubMed citation
Europe PMC
Last Modified
04 May 2015