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CHEBI:170086 - [(2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate

ChEBI IDCHEBI:170086
ChEBI Name[(2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Stars
Last Modified15 November 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H83N2O6P
Net Charge0
Average Mass731.097
Monoisotopic Mass730.59888
SMILESCCCCCCCCCCCCC=CC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h30,32,39-40,44H,6-29,31,33-38H2,1-5H3,(H-,42,45,46,47)/t39-,40+/m0/s1
InChIKeyXLLAIUMIQHNXKC-IOLBBIBUSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate (CHEBI:170086) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate