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CHEBI:190218 - SM(d34:1)

ChEBI IDCHEBI:190218
ChEBI NameSM(d34:1)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H79N2O6P
Net Charge0
Average Mass703.043
Monoisotopic Mass702.56757
SMILESCCCCCCCCCCCCC=CC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h28,30,37-38,42H,6-27,29,31-36H2,1-5H3,(H-,40,43,44,45)/t37-,38+/m0/s1
InChIKeyMDBQUEXHFWTRCO-QPPIDDCLSA-N
Species of MetaboliteComponentSourceComments
Canis lupus (ncbitaxon:9612) liver (BTO:0000759) MetaboLights (MTBLS4015)
ChEBI Ontology
Outgoing Relation(s)
SM(d34:1) (CHEBI:190218) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2S,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate