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CHEBI:78652 - 1-octadecyl-2-methylglycero-3-phosphocholine

ChEBI IDCHEBI:78652
ChEBI Name1-octadecyl-2-methylglycero-3-phosphocholine
Stars
DefinitionA glycerophosphocholine that is glycero-3-phosphocholine substituted at positions 1 and 2 by octadecyl and methyl groups respectively.
Last Modified30 May 2014
SubmitterSteve
DownloadsMolfile
FormulaC27H58NO6P
Net Charge0
Average Mass523.736
Monoisotopic Mass523.40018
SMILESCCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC
InChIInChI=1S/C27H58NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(31-5)26-34-35(29,30)33-24-22-28(2,3)4/h27H,6-26H2,1-5H3
InChIKeyMHFRGQHAERHWKZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-octadecyl-2-methylglycero-3-phosphocholine (CHEBI:78652) is a glycerophosphocholine (CHEBI:36313)
Incoming Relation(s)
(R)-edelfosine (CHEBI:78653) is a 1-octadecyl-2-methylglycero-3-phosphocholine (CHEBI:78652)
(S)-edelfosine (CHEBI:78659) is a 1-octadecyl-2-methylglycero-3-phosphocholine (CHEBI:78652)
IUPAC Name 
2-methoxy-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym  Source
2-methoxy-3-(octadecyloxy)propyl 2-(trimethylammonio)ethyl phosphateIUPAC