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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 19662
    role 19606
      biological role 19604
        molecular messenger 17946
          hormone 17752
            sex hormone 17605
              estrogen 17524
                17beta-estradiol 9479
                  17alpha-ethynylestradiol 5260
                    17alpha-ethynylestradiol 3-sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19662
    subatomic particle 19658
      composite particle 19658
        hadron 19658
          baryon 19658
            nucleon 19658
              atomic nucleus 19658
                atom 19658
                  main group element atom 19539
                    p-block element atom 19539
                      carbon group element atom 19422
                        carbon atom 19414
                          organic molecular entity 19414
                            organic molecule 19337
                              organic cyclic compound 19089
                                organic polycyclic compound 16028
                                  steroid 12769
                                    steroid fundamental parent 12392
                                      estrane 9637
                                        estradiol 9479
                                          17beta-estradiol 9479
                                            17alpha-ethynylestradiol 5260
                                              17alpha-ethynylestradiol 3-sulfate 0
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