CHEBI:188255 - Omeprazole sulfide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Omeprazole sulfide
ChEBI ID CHEBI:188255
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H19N3O2S
Net Charge 0
Average Mass 329.420
Monoisotopic Mass 329.11980
InChI InChI=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)
InChIKey XURCIPRUUASYLR-UHFFFAOYSA-N
SMILES S(CC1=NC=C(C(OC)=C1C)C)C=2NC3=C(N2)C=CC(OC)=C3
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
137229 ChemSpider
1C6 PDBeChem
View more database links
Registry Number Type Source
73590-85-9 CAS Registry Number ChemIDplus