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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:atomoxetine
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Accession:CHEBI:127342 term browser browse the term
Definition:A secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents.
Synonyms:exact_synonym: (3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
 related_synonym: Formula=C17H21NO;   InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1;   InChIKey=VHGCDTVCOLNTBX-QGZVFWFLSA-N;   SMILES=CNCC[C@@H](Oc1ccccc1C)c1ccccc1;   Tomoxetina;   Tomoxetinum;   tomoxetine
 xref: Beilstein:4318684;   CAS:83015-26-3;   DrugBank:DB00289;   Drug_Central:256;   HMDB:HMDB0014434;   KEGG:D07473;   LINCS:LSM-2452
 xref_mesh: MESH:C041930
 xref: PMID:15338851;   PMID:23048018;   Reaxys:4318684;   Wikipedia:Atomoxetine


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atomoxetine hydrochloride term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp2d4 cytochrome P450, family 2, subfamily d, polypeptide 4 increases hydroxylation ISO CYP2D6 protein results in increased hydroxylation of Atomoxetine Hydrochloride CTD PMID:17470523 NCBI chr 7:123,599,264...123,608,436
Ensembl chr 7:123,599,266...123,608,436
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      biological role 19734
        xenobiotic 18381
          atomoxetine 1
            atomoxetine hydrochloride 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    main group molecular entity 19672
                      s-block molecular entity 19430
                        hydrogen molecular entity 19420
                          hydrides 18686
                            inorganic hydride 17411
                              pnictogen hydride 17383
                                nitrogen hydride 17224
                                  azane 16941
                                    ammonia 16940
                                      organic amino compound 16939
                                        secondary amino compound 6516
                                          atomoxetine 1
                                            atomoxetine hydrochloride 1
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