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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:duloxetine
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Accession:CHEBI:36796 term browser browse the term
Definition:A thiophene that has formula C18H19NOS.
Synonyms:exact_synonym: N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine
 related_synonym: Formula=C18H19NOS;   InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3;   InChIKey=ZEUITGRIYCTCEM-UHFFFAOYSA-N;   N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine;   SMILES=CNCCC(Oc1cccc2ccccc12)c1cccs1
 xref: Beilstein:8842375;   CAS:116539-58-3
 xref_mesh: MESH:C058218
 xref: PMID:20825390


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5052
    role 5044
      biological role 5016
        biochemical role 4938
          enzyme inhibitor 490
            EC 3.* (hydrolase) inhibitor 428
              EC 3.4.* (hydrolases acting on peptide bond) inhibitor 31
                EC 3.4.21.* (serine endopeptidase) inhibitor 3
                  EC 3.4.21.26 (prolyl oligopeptidase) inhibitor 2
                    duloxetine 0
                      (R)-duloxetine + 0
                      (S)-duloxetine + 0
                      duloxetine hydrochloride + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            organic molecule 4874
                              organic cyclic compound 4812
                                organic heterocyclic compound 4626
                                  organosulfur heterocyclic compound 45
                                    thiophenes 0
                                      duloxetine 0
                                        (R)-duloxetine + 0
                                        (S)-duloxetine + 0
                                        duloxetine hydrochloride + 0
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