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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)-isoconazole
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Accession:CHEBI:83668 term browser browse the term
Definition:A 1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (S)-enantiomer of isoconazole.
Synonyms:exact_synonym: 1-[(2S)-2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
 related_synonym: Formula=C18H14Cl4N2O;   InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2/t18-/m1/s1;   InChIKey=MPIPASJGOJYODL-GOSISDBHSA-N;   SMILES=Clc1ccc([C@@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1
 xref: Reaxys:20583119
 cyclic_relationship: is_conjugate_base_of CHEBI:83673;   is_enantiomer_of CHEBI:83666


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isoconazole term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Kcnh2 potassium voltage-gated channel subfamily H member 2 decreases activity ISO isoconazole results in decreased activity of KCNH2 protein CTD PMID:28551711 NCBI chr 4:7,355,066...7,387,282
Ensembl chr 4:7,355,574...7,387,253
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19792
    chemical entity 19791
      atom 19788
        nonmetal atom 19662
          oxygen atom 19343
            oxygen molecular entity 19343
              organooxygen compound 18795
                ether 15950
                  1-\{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl\}imidazole 1
                    (S)-isoconazole 1
                      isoconazole 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19792
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19571
                        carbon atom 19560
                          organic molecular entity 19560
                            organic molecule 19483
                              organic cyclic compound 19252
                                organic heterocyclic compound 18422
                                  heteroarene 16462
                                    monocyclic heteroarene 13315
                                      azole 12480
                                        diazole 8135
                                          imidazoles 7662
                                            1-\{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl\}imidazole 1
                                              (S)-isoconazole 1
                                                isoconazole 1
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