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CHEBI:190240 - SM(d44:1)

ChEBI IDCHEBI:190240
ChEBI NameSM(d44:1)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H99N2O6P
Net Charge0
Average Mass843.313
Monoisotopic Mass842.72408
SMILESCCCCCCCCCCCCC=CC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C49H99N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-49(53)50-47(46-57-58(54,55)56-45-44-51(3,4)5)48(52)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2/h38,40,47-48,52H,6-37,39,41-46H2,1-5H3,(H-,50,53,54,55)/t47-,48+/m0/s1
InChIKeyXKNNQROSCCXHFC-JYHRMSDVSA-N
Species of MetaboliteComponentSourceComments
Canis lupus (ncbitaxon:9612) liver (BTO:0000759) MetaboLights (MTBLS4015)
ChEBI Ontology
Outgoing Relation(s)
SM(d44:1) (CHEBI:190240) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2S,3R)-2-(hexacosanoylamino)-3-hydroxyoctadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate