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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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    Path 1
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      CHEBI ontology 19911
        role 19854
          application 19722
            pharmaceutical 19556
              drug 19556
                protective agent 18263
                  geroprotector 17404
                    17beta-estradiol 11308
                      17alpha-ethynylestradiol 5318
                        17alpha-ethynylestradiol 3-sulfate 0
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      CHEBI ontology 19911
        subatomic particle 19909
          composite particle 19909
            hadron 19880
              baryon 19880
                nucleon 19909
                  atomic nucleus 19880
                    atom 19909
                      main group element atom 19849
                        p-block element atom 19849
                          carbon group element atom 19766
                            carbon atom 19785
                              organic molecular entity 19785
                                organic molecule 19737
                                  organic cyclic compound 19526
                                    organic polycyclic compound 17311
                                      steroid 14705
                                        hydroxy steroid 14469
                                          3-hydroxy steroid 12811
                                            phenolic steroid 11312
                                              estradiol 11292
                                                17beta-estradiol 11308
                                                  17alpha-ethynylestradiol 5318
                                                    17alpha-ethynylestradiol 3-sulfate 0
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