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CHEBI:190223 - SM(d35:1)

ChEBI IDCHEBI:190223
ChEBI NameSM(d35:1)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H81N2O6P
Net Charge0
Average Mass717.070
Monoisotopic Mass716.58322
SMILESCCCCCCCCCCCCC=CC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C40H81N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(44)41-38(37-48-49(45,46)47-36-35-42(3,4)5)39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h29,31,38-39,43H,6-28,30,32-37H2,1-5H3,(H-,41,44,45,46)/t38-,39+/m0/s1
InChIKeyOOOUXEXASBCJCE-ZESVVUHVSA-N
Species of MetaboliteComponentSourceComments
Canis lupus (ncbitaxon:9612) liver (BTO:0000759) MetaboLights (MTBLS4015)
ChEBI Ontology
Outgoing Relation(s)
SM(d35:1) (CHEBI:190223) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2S,3R)-2-(heptadecanoylamino)-3-hydroxyoctadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate