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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 1:83,103,925...83,119,578
Ensembl chr 1:83,103,925...83,119,193
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 7:123,599,264...123,608,436
Ensembl chr 7:123,599,266...123,608,436
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 chr12:11,053,888...11,082,742
Ensembl chr12:11,655,402...11,733,136
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 chr14:22,142,412...22,155,246
Ensembl chr14:22,142,364...22,155,231
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 9:95,295,701...95,302,822
Ensembl chr 9:95,161,157...95,302,822
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    chemical entity 19787
      group 19698
        pseudohalo group 2882
          cyano group 2882
            nitrile 2882
              fipronil-sulfone 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    main group molecular entity 19672
                      s-block molecular entity 19430
                        hydrogen molecular entity 19420
                          hydrides 18686
                            organic hydride 18249
                              organic fundamental parent 18249
                                hydrocarbon 17969
                                  halohydrocarbon 13937
                                    haloalkane 11657
                                      fluoroalkane 7110
                                        fluoromethanes 6330
                                          tetrafluoromethane 6330
                                            trifluoromethyl group 6330
                                              (trifluoromethyl)benzenes 6330
                                                fipronil-sulfone 5
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