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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:fipronil-sulfone
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Accession:CHEBI:83487 term browser browse the term
Definition:A member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, (trifluoromethyl)sulfonyl, and amino groups, respectively. It is a metabolite of the agrochemical fipronil.
Synonyms:exact_synonym: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-1H-pyrazole-3-carbonitrile
 related_synonym: Formula=C12H4Cl2F6N4O2S;   InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2;   InChIKey=LGHZJDKSVUTELU-UHFFFAOYSA-N;   SMILES=Nc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)S(=O)(=O)C(F)(F)F
 xref: CAS:120068-36-2
 xref_mesh: MESH:C534368
 xref: PMID:23785993;   PMID:24016625;   Reaxys:8729974



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Path 1
Term Annotations click to browse term
  CHEBI ontology 5052
    chemical entity 5080
      group 5032
        pseudohalo group 7
          cyano group 7
            nitrile 7
              fipronil-sulfone 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
                    main group molecular entity 5012
                      s-block molecular entity 4970
                        hydrogen molecular entity 4964
                          hydrides 4544
                            organic hydride 4388
                              organic fundamental parent 4388
                                hydrocarbon 4348
                                  halohydrocarbon 22
                                    haloalkane 3
                                      fluoroalkane 2
                                        fluoromethanes 2
                                          tetrafluoromethane 2
                                            trifluoromethyl group 2
                                              (trifluoromethyl)benzenes 2
                                                fipronil-sulfone 0
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