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ONTOLOGY REPORT - ANNOTATIONS


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 "ChemIDplus";   CAS:57-63-6 "ChemIDplus";   CAS:57-63-6 "KEGG COMPOUND";   DrugBank:DB00977;   Drug_Central:1082 "DrugCentral";   HMDB:HMDB0001926;   KEGG:C07534;   KEGG:D00554;   LINCS:LSM-5593;   LIPID_MAPS_instance:LMST02010036 "LIPID MAPS"
 xref_mesh: MESH:D004997
 xref: PMID:20189629 "Europe PMC";   Reaxys:2419975 "Reaxys";   VSDB:1887


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Path 1
Term Annotations click to browse term
  CHEBI ontology 23673
    role 23561
      biological role 23522
        molecular messenger 18588
          hormone 18204
            sex hormone 18015
              estrogen 17798
                17beta-estradiol 9768
                  17alpha-ethynylestradiol 5229
                    17alpha-ethynylestradiol 3-sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 23673
    subatomic particle 23620
      composite particle 23620
        hadron 23620
          baryon 23620
            nucleon 23620
              atomic nucleus 23620
                atom 23620
                  main group element atom 23437
                    p-block element atom 23437
                      carbon group element atom 23135
                        carbon atom 23111
                          organic molecular entity 23111
                            organic molecule 22967
                              organic cyclic compound 21936
                                organic polycyclic compound 17277
                                  steroid 13450
                                    steroid fundamental parent 13042
                                      estrane 9938
                                        estradiol 9768
                                          17beta-estradiol 9768
                                            17alpha-ethynylestradiol 5229
                                              17alpha-ethynylestradiol 3-sulfate 0
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