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CHEBI:190219 - SM(d33:1)

ChEBI IDCHEBI:190219
ChEBI NameSM(d33:1)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H77N2O6P
Net Charge0
Average Mass689.016
Monoisotopic Mass688.55192
SMILESCCCCCCCCCCCCC=CC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C38H77N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-37(41)36(35-46-47(43,44)45-34-33-40(3,4)5)39-38(42)32-30-28-26-24-22-19-17-15-13-11-9-7-2/h27,29,36-37,41H,6-26,28,30-35H2,1-5H3,(H-,39,42,43,44)/t36-,37+/m0/s1
InChIKeyTUEIWJROZONCIA-PQQNNWGCSA-N
Species of MetaboliteComponentSourceComments
Canis lupus (ncbitaxon:9612) liver (BTO:0000759) MetaboLights (MTBLS4015)
ChEBI Ontology
Outgoing Relation(s)
SM(d33:1) (CHEBI:190219) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2S,3R)-3-hydroxy-2-(pentadecanoylamino)octadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate