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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 19816
    chemical entity 19816
      chemical substance 11959
        mixture 10880
          racemate 9777
            omeprazole 398
              5'-hydroxyomeprazole 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic molecule 19522
                              organic cyclic compound 19320
                                organic heterocyclic compound 18432
                                  organic heteropolycyclic compound 17844
                                    organic heterobicyclic compound 16765
                                      benzimidazoles 857
                                        5-methoxy-2-\{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl\}-1H-benzimidazole 398
                                          esomeprazole 398
                                            omeprazole 398
                                              5'-hydroxyomeprazole 1
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