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CHEBI:190217 - SM(d36:3)

ChEBI IDCHEBI:190217
ChEBI NameSM(d36:3)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H79N2O6P
Net Charge0
Average Mass727.065
Monoisotopic Mass726.56757
SMILESCCCCCCCCCCCC=CCC=CCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)CC=CCCCCCCCCCCCC
InChIInChI=1S/C41H79N2O6P/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/h25,27,30-33,39-40,44H,6-24,26,28-29,34-38H2,1-5H3,(H-,42,45,46,47)/t39-,40+/m0/s1
InChIKeyJRFVLNCYOWUUOV-IOLBBIBUSA-N
Species of MetaboliteComponentSourceComments
Canis lupus (ncbitaxon:9612) liver (BTO:0000759) MetaboLights (MTBLS4015)
ChEBI Ontology
Outgoing Relation(s)
SM(d36:3) (CHEBI:190217) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2S,3R)-3-hydroxy-2-(octadeca-3,6-dienoylamino)octadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate