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CHEBI:190238 - SM(d44:2)

ChEBI IDCHEBI:190238
ChEBI NameSM(d44:2)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H97N2O6P
Net Charge0
Average Mass841.297
Monoisotopic Mass840.70843
SMILESCCCCCCCCCCCCC=CC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CC=CCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C49H97N2O6P/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/h38-41,47-48,52H,6-37,42-46H2,1-5H3,(H-,50,53,54,55)/t47-,48+/m0/s1
InChIKeyYSBPFTMPDUADMI-JYHRMSDVSA-N
Species of MetaboliteComponentSourceComments
Canis lupus (ncbitaxon:9612) liver (BTO:0000759) MetaboLights (MTBLS4015)
ChEBI Ontology
Outgoing Relation(s)
SM(d44:2) (CHEBI:190238) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2S,3R)-2-(hexacos-3-enoylamino)-3-hydroxyoctadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate