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CHEBI:183981 - 1-o-hexadecyl-2-deoxy-2-thio-s-acetyl-sn-glyceryl-3-phosphorylcholine

ChEBI IDCHEBI:183981
ChEBI Name1-o-hexadecyl-2-deoxy-2-thio-s-acetyl-sn-glyceryl-3-phosphorylcholine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H54NO6PS
Net Charge0
Average Mass539.760
Monoisotopic Mass539.34095
SMILESCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)SC(C)=O
InChIInChI=1S/C26H54NO6PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(35-25(2)28)24-33-34(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1
InChIKeyYPPZOKNKENLFTE-AREMUKBSSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
ChEBI Ontology
Outgoing Relation(s)
1-o-hexadecyl-2-deoxy-2-thio-s-acetyl-sn-glyceryl-3-phosphorylcholine (CHEBI:183981) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2R)-2-acetylsulanyl-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
8522680ChemSpider