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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 19817
    role 19767
      application 19445
        pesticide 16593
          acaricide 9738
            organochlorine acaricide 210
              chloropropylate 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19817
    subatomic particle 19815
      composite particle 19815
        hadron 19815
          baryon 19815
            nucleon 19815
              atomic nucleus 19815
                atom 19815
                  main group element atom 19705
                    p-block element atom 19705
                      carbon group element atom 19614
                        carbon atom 19603
                          organic molecular entity 19603
                            organic group 18537
                              organic divalent group 18528
                                organodiyl group 18528
                                  carbonyl group 18435
                                    carbonyl compound 18435
                                      carboxylic acid 18113
                                        hydroxy carboxylic acid 3617
                                          hydroxy monocarboxylic acid 3617
                                            2-hydroxy monocarboxylic acid 2920
                                              benzilic acid 5
                                                4,4'-dichlorobenzilic acid 4
                                                  chloropropylate 4
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