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CHEBI:188115 - 3-Hydroxyomeprazole

Default Structure
ChEBI IDCHEBI:188115
ChEBI Name3-Hydroxyomeprazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H19N3O4S
Net Charge0
Average Mass361.423
Monoisotopic Mass361.10963
SMILESCOc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3CO)nc2c1
InChIInChI=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)
InChIKeyIGVYIWUGJPECAJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
32697733ChemSpider
HMDB0014013HMDB
Registry NumbersSources
CAS:176219-02-6ChemIDplus