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CHEBI:74096 - caproylcholine

ChEBI IDCHEBI:74096
ChEBI Namecaproylcholine
Stars
DefinitionAn acylcholine with an acyl group that is hexanoyl.
Last Modified19 September 2013
Submittermwilliams
DownloadsMolfile
FormulaC11H24NO2
Net Charge+1
Average Mass202.318
Monoisotopic Mass202.18016
SMILESCCCCCC(=O)OCC[N+](C)(C)C
InChIInChI=1S/C11H24NO2/c1-5-6-7-8-11(13)14-10-9-12(2,3)4/h5-10H2,1-4H3/q+1
InChIKeyFKJUAGXPCITGLZ-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
caproylcholine (CHEBI:74096) has functional parent hexanoic acid (CHEBI:30776)
caproylcholine (CHEBI:74096) has role metabolite (CHEBI:25212)
caproylcholine (CHEBI:74096) is a acylcholine (CHEBI:35287)
IUPAC Name 
2-(hexanoyloxy)-N,N,N-trimethylethanaminium
Synonyms  Source
HexanoylcholineChemIDplus
O-hexanoylcholineChEBI
Manual XrefsDatabases
HMDB0013224HMDB
Registry NumbersSources
Reaxys:1783133Reaxys
CAS:16639-00-2ChemIDplus