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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:5'-hydroxyomeprazole
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Accession:CHEBI:63840 term browser browse the term
Definition:A sulfoxide that is omeprazole in which one of the methyl hydrogens at position 5 on the pyridine ring is substituted by a hydroxy group.
Synonyms:exact_synonym: (4-methoxy-6-{[(5-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl}-5-methylpyridin-3-yl)methanol
 related_synonym: 5-Methoxy-2-(((4-methoxy-3-methyl-5-hydroxymethyl-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazole;   Formula=C17H19N3O4S;   Hydroxyomeprazole;   InChI=1S/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20);   InChIKey=CMZHQFXXAAIBKE-UHFFFAOYSA-N;   SMILES=COc1ccc2[nH]c(nc2c1)S(=O)Cc1ncc(CO)c(OC)c1C
 xref: CAS:92340-57-3
 xref_mesh: MESH:C049963
 xref: PMID:19166730;   PMID:21546194;   PMID:7781266;   PMID:8550990;   PMID:9916309;   Reaxys:8439890



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Path 1
Term Annotations click to browse term
  CHEBI ontology 5059
    chemical entity 5059
      chemical substance 64
        mixture 58
          racemate 49
            omeprazole 0
              5'-hydroxyomeprazole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5059
    subatomic particle 5050
      composite particle 5050
        hadron 5050
          baryon 5050
            nucleon 5050
              atomic nucleus 5050
                atom 5050
                  main group element atom 5017
                    p-block element atom 5014
                      carbon group element atom 4932
                        carbon atom 4931
                          organic molecular entity 4931
                            organic molecule 4878
                              organic cyclic compound 4815
                                organic heterocyclic compound 4626
                                  organic heteropolycyclic compound 4424
                                    organic heterobicyclic compound 141
                                      benzimidazoles 6
                                        5-methoxy-2-\{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl\}-1H-benzimidazole 0
                                          esomeprazole 0
                                            omeprazole 0
                                              5'-hydroxyomeprazole 0
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