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CHEBI:188255 - Omeprazole sulfide

ChEBI IDCHEBI:188255
ChEBI NameOmeprazole sulfide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H19N3O2S
Net Charge0
Average Mass329.425
Monoisotopic Mass329.11980
SMILESCOc1ccc2nc(SCc3ncc(C)c(OC)c3C)nc2c1
InChIInChI=1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
InChIKeyXURCIPRUUASYLR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Omeprazole sulfide (CHEBI:188255) is a benzimidazoles (CHEBI:22715)
IUPAC Name 
6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulanyl]-1H-benzimidazole
Manual XrefsDatabases
137229ChemSpider
1C6PDBeChem
Registry NumbersSources
CAS:73590-85-9ChemIDplus