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CHEBI:228693 - SM 8:0;2O/26:0

ChEBI IDCHEBI:228693
ChEBI NameSM 8:0;2O/26:0
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H81N2O6P
Net Charge0
Average Mass705.059
Monoisotopic Mass704.58322
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)CCCCC
InChIInChI=1S/C39H81N2O6P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-39(43)40-37(38(42)32-30-9-7-2)36-47-48(44,45)46-35-34-41(3,4)5/h37-38,42H,6-36H2,1-5H3,(H-,40,43,44,45)
InChIKeyBPQVZMMJJYJOGS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
SM 8:0;2O/26:0 (CHEBI:228693) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[2-(hexacosanoylamino)-3-hydroxyoctyl] 2-(trimethylazaniumyl)ethyl phosphate