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CHEBI:78659 - (S)-edelfosine

ChEBI IDCHEBI:78659
ChEBI Name(S)-edelfosine
Stars
ASCII Name(S)-edelfosine
DefinitionA 1-octadecyl-2-methylglycero-3-phosphocholine that is the (S)-enantiomer of edelfosine.
Last Modified30 May 2014
SubmitterSteve
DownloadsMolfile
FormulaC27H58NO6P
Net Charge0
Average Mass523.736
Monoisotopic Mass523.40018
SMILESCCCCCCCCCCCCCCCCCCOC[C@@H](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/t27-/m0/s1
InChIKeyMHFRGQHAERHWKZ-MHZLTWQESA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-edelfosine (CHEBI:78659) is a 1-octadecyl-2-methylglycero-3-phosphocholine (CHEBI:78652)
IUPAC Name 
(2S)-2-methoxy-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym  Source
3-octadecyl-2-methyl-sn-glycero-1-phosphocholineChEBI
Registry NumbersSources
Reaxys:6376410Reaxys