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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 1:81,594,534...81,608,567
Ensembl chr 1:81,594,555...81,608,566
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 7:113,882,584...113,891,754
Ensembl chr 7:113,881,618...113,891,759
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 chr12:9,256,159...9,285,020
Ensembl chr12:9,254,475...9,285,030
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 chr14:20,492,763...20,505,491
Ensembl chr14:20,492,708...20,505,483
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 9:88,801,344...88,808,465 JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19808
    chemical entity 19808
      group 19729
        pseudohalo group 3489
          cyano group 3489
            nitrile 3489
              fipronil-sulfone 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19807
      composite particle 19807
        hadron 19807
          baryon 19807
            nucleon 19807
              atomic nucleus 19807
                atom 19807
                  main group element atom 19704
                    main group molecular entity 19704
                      s-block molecular entity 19489
                        hydrogen molecular entity 19484
                          hydrides 18841
                            organic hydride 18350
                              organic fundamental parent 18350
                                hydrocarbon 18061
                                  halohydrocarbon 14052
                                    haloalkane 11707
                                      fluoroalkane 7214
                                        fluoromethanes 6411
                                          tetrafluoromethane 6411
                                            trifluoromethyl group 6411
                                              (trifluoromethyl)benzenes 6411
                                                fipronil-sulfone 5
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