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CHEBI:190237 - SM(d43:2)

ChEBI IDCHEBI:190237
ChEBI NameSM(d43:2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H95N2O6P
Net Charge0
Average Mass827.270
Monoisotopic Mass826.69278
SMILESCCCCCCCCCCCCC=CC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CC=CCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C48H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-48(52)49-46(45-56-57(53,54)55-44-43-50(3,4)5)47(51)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2/h37-40,46-47,51H,6-36,41-45H2,1-5H3,(H-,49,52,53,54)/t46-,47+/m0/s1
InChIKeyJVIHAVAROVQKQV-KBRGEABDSA-N
Species of MetaboliteComponentSourceComments
Canis lupus (ncbitaxon:9612) liver (BTO:0000759) MetaboLights (MTBLS4015)
ChEBI Ontology
Outgoing Relation(s)
SM(d43:2) (CHEBI:190237) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2S,3R)-3-hydroxy-2-(pentacos-3-enoylamino)octadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate