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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 8:58,075,367...58,082,255
Ensembl chr 8:58,075,367...58,082,312 		JBrowse link
G Dhodh dihydroorotate dehydrogenase (quinone) decreases activity
affects binding		 ISO
EXP		 Atovaquone results in decreased activity of DHODH protein
Atovaquone binds to Dhodh protein		 CTD
RGD		 PMID:10658902 PMID:15044733 RGD:2316233 NCBI chr19:37,551,858...37,573,327
Ensembl chr19:37,558,177...37,591,654 		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 1:201,337,762...201,340,230
Ensembl chr 1:201,321,672...201,340,226 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19808
    role 19784
      biological role 19782
        antimicrobial agent 18141
          antifungal agent 16834
            atovaquone 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            heteroorganic entity 19460
                              organochalcogen compound 19224
                                organooxygen compound 19141
                                  carbonyl compound 18869
                                    ketone 17165
                                      cyclic ketone 15685
                                        quinone 8644
                                          naphthoquinone 1475
                                            1,4-naphthoquinones 1463
                                              hydroxy-1,4-naphthoquinone 157
                                                atovaquone 3
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