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CHEBI:190232 - SM(d42:1)

ChEBI IDCHEBI:190232
ChEBI NameSM(d42:1)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H95N2O6P
Net Charge0
Average Mass815.259
Monoisotopic Mass814.69278
SMILESCCCCCCCCCCCCC=CC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h36,38,45-46,50H,6-35,37,39-44H2,1-5H3,(H-,48,51,52,53)/t45-,46+/m0/s1
InChIKeyOVUFCYJWDPYDIX-CRCOQUFZSA-N
Species of MetaboliteComponentSourceComments
Canis lupus (ncbitaxon:9612) liver (BTO:0000759) MetaboLights (MTBLS4015)
ChEBI Ontology
Outgoing Relation(s)
SM(d42:1) (CHEBI:190232) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate