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CHEBI:16353 - sinapine

ChEBI IDCHEBI:16353
ChEBI Namesinapine
Stars
DefinitionAn acylcholine in which the acyl group specified is sinapoyl.
Secondary ChEBI IDsCHEBI:9156, CHEBI:15088, CHEBI:26682, CHEBI:26687
Last Modified4 May 2015
DownloadsMolfile
FormulaC16H24NO5
Net Charge+1
Average Mass310.370
Monoisotopic Mass310.16490
SMILESCOc1cc(/C=C/C(=O)OCC[N+](C)(C)C)cc(OC)c1O
InChIInChI=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
InChIKeyHUJXHFRXWWGYQH-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) - PubMed (23030806)
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
ChEBI Ontology
Outgoing Relation(s)
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-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]-N,N,N-trimethylethanaminium
Synonyms  Source
SinapoylcholineKEGG COMPOUND
SinapineKEGG COMPOUND
O-sinapoylcholineChEBI
2-(4-hydroxy-3,5-dimethoxycinnamoyloxy)-N,N,N-trimethylethanaminiumChEBI
SinapoylcholineKEGG COMPOUND
UniProt Name  Source
O-sinapoylcholineUniProt
Manual XrefsDatabases
C00933KEGG COMPOUND
C00933KEGG COMPOUND
C00002777KNApSAcK
Registry NumbersSources
Reaxys:4933491Reaxys
CAS:18696-26-9KEGG COMPOUND
CAS:18696-26-9ChemIDplus
Citations