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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:S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
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Accession:CHEBI:42403 term browser browse the term
Definition:A thioester that has formula C16H8F3N3O2S.
Synonyms:related_synonym: Formula=C16H8F3N3O2S;   InChI=1S/C16H8F3N3O2S/c17-16(18,19)14-20-15(22-21-14)25-13(23)12-9-8-11(24-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H,20,21,22);   InChIKey=VNGWUVBXUIDQTK-UHFFFAOYSA-N;   SMILES=FC(F)(F)c1nnc(SC(=O)c2ccc(o2)C#Cc2ccccc2)[nH]1
 xref: Beilstein:10582922;   DrugBank:DB07743;   PDBeChem:F3F


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19801
    chemical entity 19800
      molecular entity 19796
        polyatomic entity 19706
          molecule 19527
            organic molecule 19494
              acetylenic compound 5795
                S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19801
    subatomic particle 19797
      composite particle 19797
        hadron 19797
          baryon 19797
            nucleon 19797
              atomic nucleus 19797
                atom 19797
                  main group element atom 19684
                    p-block element atom 19684
                      carbon group element atom 19583
                        carbon atom 19572
                          organic molecular entity 19572
                            organic molecule 19494
                              organic cyclic compound 19264
                                organic heterocyclic compound 18431
                                  heteroarene 16463
                                    monocyclic heteroarene 13314
                                      azole 12478
                                        triazoles 3640
                                          S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate 0
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