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CHEBI:230581 - lansoprazole sulfide

ChEBI IDCHEBI:230581
ChEBI Namelansoprazole sulfide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14F3N3OS
Net Charge0
Average Mass353.369
Monoisotopic Mass353.08097
SMILESCc1c(OCC(F)(F)F)ccnc1CSc1nc2ccccc2n1
InChIInChI=1S/C16H14F3N3OS/c1-10-13(20-7-6-14(10)23-9-16(17,18)19)8-24-15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
InChIKeyCCHLMSUZHFPSFC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
lansoprazole sulfide (CHEBI:230581) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
2-[[3-methyl-4-(2,2,2-triluoroethoxy)pyridin-2-yl]methylsulanyl]-1H-benzimidazole
Manual XrefsDatabases
933139ChemSpider