EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:176756 - SM(d14:0/26:0)

ChEBI IDCHEBI:176756
ChEBI NameSM(d14:0/26:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H93N2O6P
Net Charge0
Average Mass789.221
Monoisotopic Mass788.67713
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCC
InChIInChI=1S/C45H93N2O6P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-15-13-11-9-7-2/h43-44,48H,6-42H2,1-5H3,(H-,46,49,50,51)/t43-,44+/m0/s1
InChIKeyJRQFYSUBVSFFTH-JCGOJSMZSA-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(d14:0/26:0) (CHEBI:176756) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2S,3R)-2-(hexacosanoylamino)-3-hydroxytetradecyl] 2-(trimethylazaniumyl)ethyl phosphate