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CHEBI:176738 - SM(d14:0/28:0)

ChEBI IDCHEBI:176738
ChEBI NameSM(d14:0/28:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H97N2O6P
Net Charge0
Average Mass817.275
Monoisotopic Mass816.70843
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCC
InChIInChI=1S/C47H97N2O6P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-15-13-11-9-7-2/h45-46,50H,6-44H2,1-5H3,(H-,48,51,52,53)/t45-,46+/m0/s1
InChIKeyIODQAUUFSUVFJA-CRCOQUFZSA-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(d14:0/28:0) (CHEBI:176738) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2S,3R)-3-hydroxy-2-(octacosanoylamino)tetradecyl] 2-(trimethylazaniumyl)ethyl phosphate