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CHEBI:190236 - SM(d41:2)

ChEBI IDCHEBI:190236
ChEBI NameSM(d41:2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H91N2O6P
Net Charge0
Average Mass799.216
Monoisotopic Mass798.66148
SMILESCCCCCCCCCCCCC=CC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CC=CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2/h35-38,44-45,49H,6-34,39-43H2,1-5H3,(H-,47,50,51,52)/t44-,45+/m0/s1
InChIKeyRCLBOKOZOBTWJO-YWPUXERESA-N
Species of MetaboliteComponentSourceComments
Canis lupus (ncbitaxon:9612) liver (BTO:0000759) MetaboLights (MTBLS4015)
ChEBI Ontology
Outgoing Relation(s)
SM(d41:2) (CHEBI:190236) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2S,3R)-3-hydroxy-2-(tricos-3-enoylamino)octadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate