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CHEBI:176759 - SM(d14:0/20:0)

ChEBI IDCHEBI:176759
ChEBI NameSM(d14:0/20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H81N2O6P
Net Charge0
Average Mass705.059
Monoisotopic Mass704.58322
SMILESCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCC
InChIInChI=1S/C39H81N2O6P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-25-27-29-31-33-39(43)40-37(36-47-48(44,45)46-35-34-41(3,4)5)38(42)32-30-28-26-24-15-13-11-9-7-2/h37-38,42H,6-36H2,1-5H3,(H-,40,43,44,45)/t37-,38+/m0/s1
InChIKeyBLHKKGMGTNRNHM-QPPIDDCLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
ChEBI Ontology
Outgoing Relation(s)
SM(d14:0/20:0) (CHEBI:176759) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2S,3R)-3-hydroxy-2-(icosanoylamino)tetradecyl] 2-(trimethylazaniumyl)ethyl phosphate