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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:atovaquone
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Accession:CHEBI:575568 term browser browse the term
Definition:A naphthoquinone compound having a 4-(4-chlorophenyl)cyclohexyl group at the 2-position and a hydroxy substituent at the 3-position.
Synonyms:exact_synonym: 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone
 related_synonym: 2-(trans-4-(p-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthoquinone;   Acuvel;   Formula=C22H19ClO3;   InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-;   InChIKey=KUCQYCKVKVOKAY-CTYIDZIISA-N;   Mepron;   SMILES=OC1=C([C@H]2CC[C@@H](CC2)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O;   Wellvone
 alt_id: CHEBI:2912
 xref: Beilstein:8076827;   CAS:95233-18-4;   DrugBank:DB01117;   Drug_Central:258;   KEGG:D00236
 xref_mesh: MESH:D053626
 xref: PMID:10658902;   PMID:11956677;   PMID:12791689;   PMID:14727190;   PMID:15044733;   PMID:15718226;   PMID:21735454;   PMID:23292347;   Patent:EP123238;   Patent:US5053432;   Wikipedia:Atovaquone


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atovaquone term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 increases activity ISO Atovaquone results in increased activity of CYP1A2 protein CTD PMID:11124226 NCBI chr 8:62,451,360...62,458,244
Ensembl chr 8:62,451,329...62,458,301
JBrowse link
G Dhodh dihydroorotate dehydrogenase (quinone) decreases activity ISO
EXP
Atovaquone results in decreased activity of DHODH protein CTD PMID:10658902 NCBI chr19:42,066,103...42,087,906
Ensembl chr19:42,066,351...42,082,012
JBrowse link
G Gstp1 glutathione S-transferase pi 1 multiple interactions ISO Atovaquone inhibits the reaction [GSTP1 protein results in increased metabolism of 1-chloro-2,4-dinitrobenzene-glutathione conjugate] CTD PMID:23769903 NCBI chr 1:219,291,679...219,294,147
Ensembl chr 1:219,291,679...219,294,147
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19810
    role 19758
      biological role 19758
        antimicrobial agent 17329
          antifungal agent 14912
            atovaquone 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      carbon group element atom 19599
                        carbon atom 19588
                          organic molecular entity 19588
                            organic group 18527
                              organic divalent group 18520
                                organodiyl group 18520
                                  carbonyl group 18427
                                    carbonyl compound 18427
                                      ketone 16171
                                        cyclic ketone 13874
                                          quinone 8341
                                            naphthoquinone 1428
                                              1,4-naphthoquinones 1404
                                                hydroxy-1,4-naphthoquinone 124
                                                  atovaquone 3
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