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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: 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 22279
        role 22263
          application 21884
            pharmaceutical 21241
              drug 21241
                protective agent 18650
                  geroprotector 17722
                    17beta-estradiol 11326
                      17alpha-ethynylestradiol 5353
                        17alpha-ethynylestradiol 3-sulfate 0
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      CHEBI ontology 22279
        subatomic particle 22273
          composite particle 22273
            hadron 22273
              baryon 22273
                nucleon 22273
                  atomic nucleus 22273
                    atom 22273
                      main group element atom 22152
                        p-block element atom 22152
                          carbon group element atom 21955
                            carbon atom 21895
                              organic molecular entity 21895
                                organic molecule 21723
                                  organic cyclic compound 21337
                                    organic polycyclic compound 18000
                                      steroid 14906
                                        hydroxy steroid 14642
                                          3-hydroxy steroid 12932
                                            phenolic steroid 11332
                                              estradiol 11326
                                                17beta-estradiol 11326
                                                  17alpha-ethynylestradiol 5353
                                                    17alpha-ethynylestradiol 3-sulfate 0
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