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CHEBI:176742 - SM(d14:0/27:0)

ChEBI IDCHEBI:176742
ChEBI NameSM(d14:0/27:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H95N2O6P
Net Charge0
Average Mass803.248
Monoisotopic Mass802.69278
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCC
InChIInChI=1S/C46H95N2O6P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-15-13-11-9-7-2/h44-45,49H,6-43H2,1-5H3,(H-,47,50,51,52)/t44-,45+/m0/s1
InChIKeySHGMMFOWDHTTNK-YWPUXERESA-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(d14:0/27:0) (CHEBI:176742) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2S,3R)-2-(heptacosanoylamino)-3-hydroxytetradecyl] 2-(trimethylazaniumyl)ethyl phosphate