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CHEBI:190230 - SM(d40:1)

ChEBI IDCHEBI:190230
ChEBI NameSM(d40:1)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H91N2O6P
Net Charge0
Average Mass787.205
Monoisotopic Mass786.66148
SMILESCCCCCCCCCCCCC=CC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C45H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h34,36,43-44,48H,6-33,35,37-42H2,1-5H3,(H-,46,49,50,51)/t43-,44+/m0/s1
InChIKeyZEZUHTUTOUOANR-JCGOJSMZSA-N
Species of MetaboliteComponentSourceComments
Canis lupus (ncbitaxon:9612) liver (BTO:0000759) MetaboLights (MTBLS4015)
ChEBI Ontology
Outgoing Relation(s)
SM(d40:1) (CHEBI:190230) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2S,3R)-2-(docosanoylamino)-3-hydroxyoctadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate