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CHEBI:190233 - SM(d38:1)

ChEBI IDCHEBI:190233
ChEBI NameSM(d38:1)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H87N2O6P
Net Charge0
Average Mass759.151
Monoisotopic Mass758.63018
SMILESCCCCCCCCCCCCC=CC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H87N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h32,34,41-42,46H,6-31,33,35-40H2,1-5H3,(H-,44,47,48,49)/t41-,42+/m0/s1
InChIKeyAXLKGEKWMRDPKT-ACEXITHZSA-N
Species of MetaboliteComponentSourceComments
Canis lupus (ncbitaxon:9612) liver (BTO:0000759) MetaboLights (MTBLS4015)
ChEBI Ontology
Outgoing Relation(s)
SM(d38:1) (CHEBI:190233) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2S,3R)-3-hydroxy-2-(icosanoylamino)octadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate