CHEBI:74096 - caproylcholine

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ChEBI Name caproylcholine
ChEBI ID CHEBI:74096
Definition An acylcholine with an acyl group that is hexanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C11H24NO2
Net Charge +1
Average Mass 202.31380
Monoisotopic Mass 202.18016
InChI InChI=1S/C11H24NO2/c1-5-6-7-8-11(13)14-10-9-12(2,3)4/h5-10H2,1-4H3/q+1
InChIKey FKJUAGXPCITGLZ-UHFFFAOYSA-N
SMILES CCCCCC(=O)OCC[N+](C)(C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
Hexanoylcholine ChemIDplus
O-hexanoylcholine ChEBI
Manual Xref Database
HMDB0013224 HMDB
View more database links
Registry Numbers Types Sources
16639-00-2 CAS Registry Number ChemIDplus
1783133 Reaxys Registry Number Reaxys
Last Modified
19 September 2013