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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 7:113,882,584...113,891,754
Ensembl chr 7:113,881,618...113,891,759
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Term Annotations click to browse term
  CHEBI ontology 19812
    role 19761
      biological role 19761
        xenobiotic 18442
          atomoxetine 1
            atomoxetine hydrochloride 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    main group molecular entity 19708
                      s-block molecular entity 19493
                        hydrogen molecular entity 19488
                          hydrides 18845
                            inorganic hydride 17691
                              pnictogen hydride 17672
                                nitrogen hydride 17545
                                  azane 17279
                                    ammonia 17278
                                      organic amino compound 17278
                                        secondary amino compound 6586
                                          atomoxetine 1
                                            atomoxetine hydrochloride 1
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