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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:(R)-prothioconazole
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Accession:CHEBI:84010 term browser browse the term
Definition:A 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-1,2,4-triazole-3-thione that is the (R)-enantiomer of prothioconazole.
Synonyms:related_synonym: 2-[(2R)-2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-3H-1,2,4-triazole-3-thione;   Formula=C14H15Cl2N3OS;   InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)/t14-/m1/s1;   InChIKey=MNHVNIJQQRJYDH-CQSZACIVSA-N;   SMILES=O[C@](Cc1ccccc1Cl)(Cn1nc[nH]c1=S)C1(Cl)CC1
 cyclic_relationship: is_enantiomer_of CHEBI:84009


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Path 1
Term Annotations click to browse term
  CHEBI ontology 879
    chemical entity 879
      group 842
        organic group 392
          organic divalent group 390
            organodiyl group 390
              thiocarbonyl group 4
                thiocarbonyl compound 4
                  2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-1,2,4-triazole-3-thione 0
                    (R)-prothioconazole 0
                      prothioconazole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 879
    subatomic particle 864
      composite particle 864
        hadron 864
          baryon 864
            nucleon 864
              atomic nucleus 864
                atom 864
                  main group element atom 854
                    p-block element atom 851
                      carbon group element atom 827
                        carbon atom 826
                          organic molecular entity 826
                            organic molecule 738
                              organic cyclic compound 647
                                organic heterocyclic compound 362
                                  heteroarene 100
                                    monocyclic heteroarene 26
                                      azole 26
                                        triazoles 1
                                          2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-1,2,4-triazole-3-thione 0
                                            (R)-prothioconazole 0
                                              prothioconazole 0
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