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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:17alpha-ethynylestradiol
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Accession:CHEBI:4903 term browser browse the term
Definition:A 3-hydroxy steroid that is estradiol substituted by a ethynyl group at position 17. It is a xenoestrogen synthesized from estradiol and has been shown to exhibit high estrogenic potency on oral administration.
Synonyms:exact_synonym: 17alpha-ethynylestra-1,3,5(10)-triene-3,17beta-diol
 related_synonym: 17-ethinyl-3,17-estradiol;   17-ethinyl-3,17-oestradiol;   17-ethinylestradiol;   17alpha-Ethinyl estradiol;   Ethinyl estradiol;   Ethinylestradiol;   Ethynyl estradiol;   Formula=C20H24O2;   InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1;   InChIKey=BFPYWIDHMRZLRN-SLHNCBLASA-N;   SMILES=[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]3(O)C#C)[C@]1([H])CCc1cc(O)ccc21;   ethinyloestradiol
 xref: Beilstein:2419975;   CAS:57-63-6;   DrugBank:DB00977;   Drug_Central:1082;   HMDB:HMDB0001926;   KEGG:C07534;   KEGG:D00554;   LINCS:LSM-5593;   LIPID_MAPS_instance:LMST02010036
 xref_mesh: MESH:D004997
 xref: PMID:20189629;   Reaxys:2419975;   VSDB:1887

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  CHEBI ontology 0
    role 0
      application 0
        pharmaceutical 0
          drug 0
            protective agent 0
              geroprotector 0
                17beta-estradiol 0
                  17alpha-ethynylestradiol 0
                    17alpha-ethynylestradiol 3-sulfate 0
Path 2
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic polycyclic compound 0
                                  steroid 0
                                    hydroxy steroid 0
                                      3-hydroxy steroid 0
                                        phenolic steroid 0
                                          estradiol 0
                                            17beta-estradiol 0
                                              17alpha-ethynylestradiol 0
                                                17alpha-ethynylestradiol 3-sulfate 0
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