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CHEBI:190214 - SM(d32:1)

ChEBI IDCHEBI:190214
ChEBI NameSM(d32:1)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H75N2O6P
Net Charge0
Average Mass674.989
Monoisotopic Mass674.53627
SMILESCCCCCCCCCCCCC=CC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C37H75N2O6P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-36(40)35(34-45-46(42,43)44-33-32-39(3,4)5)38-37(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h26,28,35-36,40H,6-25,27,29-34H2,1-5H3,(H-,38,41,42,43)/t35-,36+/m0/s1
InChIKeyJXSQOUIEMHTUOA-MPQUPPDSSA-N
Species of MetaboliteComponentSourceComments
Canis lupus (ncbitaxon:9612) liver (BTO:0000759) MetaboLights (MTBLS4015)
ChEBI Ontology
Outgoing Relation(s)
SM(d32:1) (CHEBI:190214) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate