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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
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
Ensembl chr 9:88,713,184...88,808,465 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19932
    chemical entity 19930
      group 19888
        pseudohalo group 4583
          cyano group 4583
            nitrile 4583
              fipronil-sulfone 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19932
    subatomic particle 19930
      composite particle 19930
        hadron 19930
          baryon 19930
            nucleon 19930
              atomic nucleus 19930
                atom 19930
                  main group element atom 19876
                    main group molecular entity 19876
                      s-block molecular entity 19705
                        hydrogen molecular entity 19686
                          hydrides 19179
                            organic hydride 18717
                              organic fundamental parent 18717
                                hydrocarbon 18457
                                  halohydrocarbon 15874
                                    haloalkane 12902
                                      fluoroalkane 9221
                                        fluoromethanes 6768
                                          tetrafluoromethane 6768
                                            trifluoromethyl group 6768
                                              (trifluoromethyl)benzenes 6768
                                                fipronil-sulfone 5
paths to the root