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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 19911
    role 19854
      application 19722
        pesticide 18092
          acaricide 13717
            organochlorine acaricide 217
              chloropropylate 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19911
    subatomic particle 19909
      composite particle 19909
        hadron 19880
          baryon 19880
            nucleon 19909
              atomic nucleus 19880
                atom 19909
                  main group element atom 19849
                    p-block element atom 19849
                      carbon group element atom 19766
                        carbon atom 19785
                          organic molecular entity 19785
                            heteroorganic entity 19541
                              organochalcogen compound 19301
                                organooxygen compound 19193
                                  carbon oxoacid 18681
                                    carboxylic acid 18678
                                      monocarboxylic acid 18024
                                        fatty acid 16829
                                          fatty acid derivative 8989
                                            fatty alcohol 6122
                                              secondary fatty alcohol 802
                                                propan-2-ol 802
                                                  isopropyl ester 776
                                                    chloropropylate 4
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