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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:1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one
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Accession:CHEBI:83719 term browser browse the term
Definition:A ketone that is butan-2-one substituted by a 4-chlorophenoxy and a 1H-imidazol-1-yl group at position 1 and 2 methyl groups at position 3.
Synonyms:related_synonym: Formula=C15H17ClN2O2;   InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3;   InChIKey=OWEGWHBOCFMBLP-UHFFFAOYSA-N;   SMILES=C(C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl)(C)(C)C
 xref: PPDB:2454


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climbazole term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp2b1 cytochrome P450, family 2, subfamily b, polypeptide 1 increases expression EXP climbazole results in increased expression of CYP2B1 mRNA; climbazole results in increased expression of CYP2B1 protein CTD PMID:11552297 PMID:11824557 NCBI chr 1:81,518,387...81,544,999
Ensembl chr 1:81,518,408...81,542,052 		JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 increases expression EXP climbazole results in increased expression of CYP3A2 protein CTD PMID:11552297 PMID:11824557 NCBI chr12:9,207,978...9,230,064
Ensembl chr12:9,015,383...9,285,008 		JBrowse link
G Cyp4a1 cytochrome P450, family 4, subfamily a, polypeptide 1 increases expression EXP climbazole results in increased expression of CYP4A1 protein CTD PMID:11552297 NCBI chr 5:129,123,323...129,137,464
Ensembl chr 5:129,123,336...129,137,464 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19874
    role 19844
      application 19689
        NMR chemical shift reference compound 18065
          ammonia 17865
            organic amino compound 17865
              hemiaminal ether 651
                1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one 3
                  (R)-climbazole + 3
                  (S)-climbazole + 3
Path 2
Term Annotations click to browse term
  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    main group molecular entity 19811
                      s-block molecular entity 19647
                        hydrogen molecular entity 19628
                          hydrides 19139
                            inorganic hydride 18156
                              pnictogen hydride 18146
                                nitrogen hydride 18059
                                  azane 17866
                                    ammonia 17865
                                      organic amino compound 17865
                                        hemiaminal 727
                                          hemiaminal ether 651
                                            1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one 3
                                              (R)-climbazole + 3
                                              (S)-climbazole + 3
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