CHEBI:188115 - 3-Hydroxyomeprazole

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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 3-Hydroxyomeprazole
ChEBI ID CHEBI:188115
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C17H19N3O4S
Net Charge 0
Average Mass 361.420
Monoisotopic Mass 361.10963
InChI InChI=1S/C17H19N3O4S/c1-10-7-18-15(12(8-21)16(10)24-3)9-25(22)17-19-13-5-4-11(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)
InChIKey IGVYIWUGJPECAJ-UHFFFAOYSA-N
SMILES S(=O)(CC1=NC=C(C(OC)=C1CO)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 3-Hydroxyomeprazole (CHEBI:188115) is a benzimidazoles (CHEBI:22715)
3-Hydroxyomeprazole (CHEBI:188115) is a sulfoxide (CHEBI:22063)
IUPAC Name
[4-methoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulinylmethyl]-5-methylpyridin-3-yl]methanol
Manual Xrefs Databases
32697733 ChemSpider
HMDB0014013 HMDB
View more database links
Registry Number Type Source
176219-02-6 CAS Registry Number ChemIDplus