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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:abiraterone acetate
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Accession:CHEBI:68639 term browser browse the term
Definition:A sterol ester obtained by formal condensation of the 3-hydroxy group of abiraterone with the carboxy group of acetic acid. A prodrug that is converted in vivo into abiraterone. Used for treatment of metastatic castrate-resistant prostate cancer.
Synonyms:exact_synonym: 17-(pyridin-3-yl)androsta-5,16-dien-3beta-yl acetate
 related_synonym: (3beta)-17-(pyridin-3-yl)androsta-5,16-dien-3-yl acetate;   17-(3-Pyridyl)-5,16-androstadien-3beta-acetate;   Formula=C26H33NO2;   InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1;   InChIKey=UVIQSJCZCSLXRZ-UBUQANBQSA-N;   SMILES=[H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=CC[C@@]21[H])c1cccnc1)OC(C)=O;   Zytiga
 xref: CAS:154229-18-2;   Drug_Central:4176;   KEGG:D09701;   PMID:15150570;   PMID:16809076;   PMID:18645193;   PMID:18957947;   PMID:19189435;   PMID:19470933;   PMID:19995520;   PMID:19995526;   PMID:20050017;   PMID:20159814;   PMID:20159823;   PMID:20159824;   PMID:20225998;   PMID:20465382;   PMID:20645691;   PMID:20805462;   PMID:21171672;   PMID:21243537;   PMID:21550166;   PMID:21632851;   PMID:21731216;   PMID:21743483;   PMID:21802835;   PMID:21804589;   PMID:21836546;   PMID:21896467;   PMID:21975570;   PMID:21985170;   PMID:22123334;   PMID:22130117;   PMID:22149426;   PMID:22184395;   PMID:22198164;   PMID:22291466;   PMID:22372727;   PMID:22430753;   PMID:22526411;   PMID:22752297;   PMID:22995653;   PMID:23020788;   PMID:23023354;   Patent:US2008051380;   Patent:US2011201563;   Patent:WO2006021776;   Patent:WO2012083112;   Reaxys:7314563



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19860
    role 19832
      application 19675
        pro-agent 11550
          prodrug 11310
            abiraterone acetate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19860
    subatomic particle 19858
      composite particle 19858
        hadron 19858
          baryon 19858
            nucleon 19858
              atomic nucleus 19858
                atom 19858
                  main group element atom 19804
                    p-block element atom 19804
                      carbon group element atom 19745
                        carbon atom 19741
                          organic molecular entity 19741
                            organic molecule 19692
                              organic cyclic compound 19503
                                organic polycyclic compound 17267
                                  steroid 14721
                                    hydroxy steroid 14468
                                      3-hydroxy steroid 12813
                                        3beta-hydroxy steroid 2535
                                          3beta-hydroxy-Delta(5)-steroid 2367
                                            abiraterone 6
                                              abiraterone acetate 0
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