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CHEBI:230804 - 2-(dimethylsulfonio)ethyl (2r)-2-(docosanoyloxy)-3-(icosanoyloxy)propyl phosphate

Default Structure
ChEBI IDCHEBI:230804
ChEBI Name2-(dimethylsulfonio)ethyl (2r)-2-(docosanoyloxy)-3-(icosanoyloxy)propyl phosphate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H97O8PS
Net Charge0
Average Mass877.348
Monoisotopic Mass876.66418
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[S+](C)C
InChIInChI=1S/C49H97O8PS/c1-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-49(51)57-47(46-56-58(52,53)55-43-44-59(3)4)45-54-48(50)41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-2/h47H,5-46H2,1-4H3/t47-/m1/s1
InChIKeyKFASCEHBINZWBE-QZNUWAOFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
2-(dimethylsulfonio)ethyl (2r)-2-(docosanoyloxy)-3-(icosanoyloxy)propyl phosphate (CHEBI:230804) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
2-dimethylsulonioethyl [(2R)-2-docosanoyloxy-3-icosanoyloxypropyl] phosphate
Manual XrefsDatabases
24822193ChemSpider
LMGP00000053LIPID MAPS