CHEBI:133677 - hexadecanoylcholine

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ChEBI Name hexadecanoylcholine
ChEBI ID CHEBI:133677
Definition An acylcholine obtained by formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of choline.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H44NO2
Net Charge +1
Average Mass 342.580
Monoisotopic Mass 342.33666
InChI InChI=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
InChIKey ODYPFMHOOQOHEF-UHFFFAOYSA-N
SMILES C(CCCCCCCCCCCCC(OCC[N+](C)(C)C)=O)CC
ChEBI Ontology
Outgoing 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 Sources
choline hexadecanoate ChEBI
choline palmitate ChEBI
O-hexadecanoylcholine ChEBI
O-palmitoylcholine ChEBI
palmitoylcholine ChEBI
Registry Numbers Types Sources
13100-90-8 CAS Registry Number ChemIDplus
1801641 Reaxys Registry Number Reaxys
Last Modified
07 October 2016