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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:63,104,771...63,273,934
Ensembl chr  X:63,104,771...63,273,925
JBrowse link
G Esr1 estrogen receptor 1 increases activity ISO chloropropylate results in increased activity of ESR1 protein CTD PMID:15064155 NCBI chr 1:41,106,335...41,499,104
Ensembl chr 1:41,210,475...41,495,002
JBrowse link
G Esr2 estrogen receptor 2 increases activity ISO chloropropylate results in increased activity of ESR2 protein CTD PMID:15064155 NCBI chr 6:94,858,438...94,909,630
Ensembl chr 6:94,809,547...94,908,919
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 chr11:62,460,213...62,496,665
Ensembl chr11:62,460,213...62,496,658
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19808
    role 19757
      application 19467
        pesticide 16973
          acaricide 12040
            organochlorine acaricide 212
              chloropropylate 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19807
      composite particle 19807
        hadron 19807
          baryon 19807
            nucleon 19807
              atomic nucleus 19807
                atom 19807
                  main group element atom 19704
                    p-block element atom 19704
                      carbon group element atom 19626
                        carbon atom 19616
                          organic molecular entity 19616
                            organic group 18725
                              organic divalent group 18716
                                organodiyl group 18716
                                  carbonyl group 18664
                                    carbonyl compound 18664
                                      carboxylic acid 18361
                                        hydroxy carboxylic acid 3650
                                          hydroxy monocarboxylic acid 3650
                                            2-hydroxy monocarboxylic acid 2926
                                              benzilic acid 5
                                                4,4'-dichlorobenzilic acid 4
                                                  chloropropylate 4
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