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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:chloropropylate
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Accession:CHEBI:39411 term browser browse the term
Definition:An organochlorine acaricide that has formula C17H16Cl2O3.
Synonyms:related_synonym: 1-Methylethyl 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetate;   Isopropyl 4,4'-dichlorobenzilate;   propan-2-yl bis(4-chlorophenyl)(hydroxy)acetate
 xref: Beilstein:2757308;   CAS:5836-10-2
 xref_mesh: MESH:C004663
 xref: PPDB:149;   kegg.compound:C19027
 chemrof_inchikey: AXGUBXVWZBFQGA-UHFFFAOYSA-N
 chemrof_formula: C17H16Cl2O3
 chemrof_smiles: CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
 chemrof_inchi: InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3
 cyclic_relationship: has_functional_parent CHEBI:39413


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chloropropylate term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ar androgen receptor multiple interactions ISO Dihydrotestosterone inhibits the reaction [chloropropylate results in increased activity of AR protein] CTD PMID:15064155 NCBI chr  X:67,135,317...67,304,476
Ensembl chr  X:67,135,317...67,304,467 		JBrowse link
G Esr1 estrogen receptor 1 increases activity ISO chloropropylate results in increased activity of ESR1 protein CTD PMID:15064155 NCBI chr 1:43,511,685...43,904,454
Ensembl chr 1:43,644,392...43,900,354 		JBrowse link
G Esr2 estrogen receptor 2 increases activity ISO chloropropylate results in increased activity of ESR2 protein CTD PMID:15064155 NCBI chr 6:100,589,553...100,645,240
Ensembl chr 6:100,545,206...100,644,709 		JBrowse link
G Nr1i2 nuclear receptor subfamily 1, group I, member 2 multiple interactions ISO chloropropylate binds to and results in increased activity of NR1I2 protein CTD PMID:21115097 NCBI chr11:75,965,717...76,006,733
Ensembl chr11:75,965,632...76,002,380 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20874
    role 20844
      application 20572
        pesticide 18454
          acaricide 13856
            organochlorine acaricide 220
              chloropropylate 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            organic molecule 20499
                              organic cyclic compound 20390
                                carbocyclic compound 18739
                                  benzenoid aromatic compound 17899
                                    benzenes 17656
                                      chlorobenzenes 15281
                                        monochlorobenzenes 12256
                                          chloropropylate 4
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