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CHEBI:183117 - SM(d16:1/23:0)

Default Structure
ChEBI IDCHEBI:183117
ChEBI NameSM(d16:1/23:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H89N2O6P
Net Charge0
Average Mass773.178
Monoisotopic Mass772.64583
SMILESCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C44H89N2O6P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-44(48)45-42(41-52-53(49,50)51-40-39-46(3,4)5)43(47)37-35-33-31-29-27-17-15-13-11-9-7-2/h35,37,42-43,47H,6-34,36,38-41H2,1-5H3,(H-,45,48,49,50)/b37-35+/t42-,43+/m0/s1
InChIKeyDZDNLWWCTCDASI-QVDCKBILSA-N
Species of MetaboliteComponentSourceComments
Trypanosoma brucei (ncbitaxon:5691) cell culture (BTO:0000214) MetaboLights (MTBLS2559)
ChEBI Ontology
Outgoing Relation(s)
SM(d16:1/23:0) (CHEBI:183117) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(E,2S,3R)-3-hydroxy-2-(tricosanoylamino)hexadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
113381531ChemSpider
LMSP03010065LIPID MAPS