EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:176766 - SM(d14:0/22:0)

ChEBI IDCHEBI:176766
ChEBI NameSM(d14:0/22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H85N2O6P
Net Charge0
Average Mass733.113
Monoisotopic Mass732.61453
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCC
InChIInChI=1S/C41H85N2O6P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-15-13-11-9-7-2/h39-40,44H,6-38H2,1-5H3,(H-,42,45,46,47)/t39-,40+/m0/s1
InChIKeyZGVJYAAWNDFHCO-IOLBBIBUSA-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(d14:0/22:0) (CHEBI:176766) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2S,3R)-2-(docosanoylamino)-3-hydroxytetradecyl] 2-(trimethylazaniumyl)ethyl phosphate