EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:190234 - SM(d43:1)

ChEBI IDCHEBI:190234
ChEBI NameSM(d43:1)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H97N2O6P
Net Charge0
Average Mass829.286
Monoisotopic Mass828.70843
SMILESCCCCCCCCCCCCC=CC[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C48H97N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-48(52)49-46(45-56-57(53,54)55-44-43-50(3,4)5)47(51)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2/h37,39,46-47,51H,6-36,38,40-45H2,1-5H3,(H-,49,52,53,54)/t46-,47+/m0/s1
InChIKeyRKZQCVLHFUVXNM-KBRGEABDSA-N
Species of MetaboliteComponentSourceComments
Canis lupus (ncbitaxon:9612) liver (BTO:0000759) MetaboLights (MTBLS4015)
ChEBI Ontology
Outgoing Relation(s)
SM(d43:1) (CHEBI:190234) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2S,3R)-3-hydroxy-2-(pentacosanoylamino)octadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate