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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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fipronil-sulfone term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp2b2 cytochrome P450, family 2, subfamily b, polypeptide 2 increases expression EXP fipronil sulfone results in increased expression of CYP2B2 mRNA CTD PMID:22447239 NCBI chr 1:90,722,243...90,736,272 JBrowse link
G Cyp2d4 cytochrome P450, family 2, subfamily d, polypeptide 4 decreases activity ISO fipronil sulfone results in decreased activity of CYP2D6 protein CTD PMID:31278966 NCBI chr 7:115,762,662...115,771,832
Ensembl chr 7:115,761,696...115,771,837 		JBrowse link
G Cyp3a23-3a1 cytochrome P450, family 3, subfamily a, polypeptide 23-polypeptide 1 increases expression EXP fipronil sulfone results in increased expression of CYP3A23-3A1 mRNA CTD PMID:22447239 NCBI chr12:14,369,950...14,398,803
Ensembl chr12:14,368,266...14,398,813 		JBrowse link
G Sult1b1 sulfotransferase family 1B member 1 increases expression EXP fipronil sulfone results in increased expression of SULT1B1 mRNA CTD PMID:22447239 NCBI chr14:20,771,917...20,784,665
Ensembl chr14:20,771,868...20,785,549 		JBrowse link
G Ugt1a1 UDP glucuronosyltransferase family 1 member A1 increases expression EXP fipronil sulfone results in increased expression of UGT1A1 mRNA CTD PMID:22447239 NCBI chr 9:96,249,143...96,256,264
Ensembl chr 9:96,144,786...96,256,264 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20862
    chemical entity 20860
      group 20803
        pseudohalo group 4793
          cyano group 4793
            nitrile 4793
              fipronil-sulfone 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 20862
    subatomic particle 20860
      composite particle 20860
        hadron 20860
          baryon 20860
            nucleon 20860
              atomic nucleus 20860
                atom 20860
                  main group element atom 20781
                    main group molecular entity 20781
                      s-block molecular entity 20574
                        hydrogen molecular entity 20558
                          hydrides 19693
                            organic hydride 19079
                              organic fundamental parent 19079
                                hydrocarbon 18731
                                  halohydrocarbon 16109
                                    haloalkane 13050
                                      fluoroalkane 9309
                                        fluoromethanes 6826
                                          tetrafluoromethane 6826
                                            trifluoromethyl group 6826
                                              (trifluoromethyl)benzenes 6826
                                                fipronil-sulfone 5
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