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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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5'-hydroxyomeprazole term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 increases expression EXP 5-hydroxymethylomeprazole results in increased expression of CYP1A1 protein CTD PMID:10103034 NCBI chr 8:62,472,087...62,478,122
Ensembl chr 8:62,472,095...62,478,147
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19853
    chemical entity 19853
      chemical substance 12183
        mixture 11137
          racemate 10069
            omeprazole 400
              5'-hydroxyomeprazole 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19744
                    p-block element atom 19744
                      carbon group element atom 19650
                        carbon atom 19639
                          organic molecular entity 19639
                            organic molecule 19568
                              organic cyclic compound 19378
                                organic heterocyclic compound 18495
                                  organic heteropolycyclic compound 17883
                                    organic heterobicyclic compound 16814
                                      benzimidazoles 857
                                        5-methoxy-2-\{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl\}-1H-benzimidazole 400
                                          esomeprazole 400
                                            omeprazole 400
                                              5'-hydroxyomeprazole 1
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