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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:exact_synonym: propan-2-yl bis(4-chlorophenyl)(hydroxy)acetate
 related_synonym: 1-Methylethyl 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetate;   Formula=C17H16Cl2O3;   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;   InChIKey=AXGUBXVWZBFQGA-UHFFFAOYSA-N;   Isopropyl 4,4'-dichlorobenzilate;   SMILES=CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
 xref: Beilstein:2757308;   CAS:5836-10-2;   KEGG:C19027
 xref_mesh: MESH:C004663
 xref: PPDB:149


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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:67,656,253...67,828,998
Ensembl chr  X:67,656,253...67,829,026
JBrowse link
G Esr1 estrogen receptor 1 increases activity ISO chloropropylate results in increased activity of ESR1 protein CTD PMID:15064155 NCBI chr 1:41,192,029...41,594,799
Ensembl chr 1:41,192,824...41,594,796
JBrowse link
G Esr2 estrogen receptor 2 increases activity ISO chloropropylate results in increased activity of ESR2 protein CTD PMID:15064155 NCBI chr 6:99,163,953...99,214,711
Ensembl chr 6:99,164,357...99,214,251
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 chr11:65,022,100...65,058,546
Ensembl chr11:65,022,100...65,058,545
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      application 19393
        pesticide 16264
          acaricide 9039
            organochlorine acaricide 209
              chloropropylate 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      carboxylic acid 18061
                                        hydroxy carboxylic acid 3603
                                          hydroxy monocarboxylic acid 3603
                                            2-hydroxy monocarboxylic acid 2916
                                              benzilic acid 5
                                                4,4'-dichlorobenzilic acid 4
                                                  chloropropylate 4
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