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CHEBI:133677 - hexadecanoylcholine

ChEBI IDCHEBI:133677
ChEBI Namehexadecanoylcholine
Stars
DefinitionAn acylcholine obtained by formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of choline.
Last Modified7 October 2016
SubmitterSteve
DownloadsMolfile
FormulaC21H44NO2
Net Charge+1
Average Mass342.588
Monoisotopic Mass342.33666
SMILESCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C
InChIInChI=1S/C21H44NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-20-19-22(2,3)4/h5-20H2,1-4H3/q+1
InChIKeyODYPFMHOOQOHEF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
hexadecanoylcholine (CHEBI:133677) has functional parent hexadecanoic acid (CHEBI:15756)
hexadecanoylcholine (CHEBI:133677) is a acylcholine (CHEBI:35287)
IUPAC Name 
2-(hexadecanoyloxy)-N,N,N-trimethylethan-1-aminium
Synonyms  Source
palmitoylcholineChEBI
O-palmitoylcholineChEBI
choline hexadecanoateChEBI
O-hexadecanoylcholineChEBI
choline palmitateChEBI
Registry NumbersSources
Reaxys:1801641Reaxys
CAS:13100-90-8ChemIDplus