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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
    Term Annotations click to browse term
      CHEBI ontology 19800
        role 19751
          application 19498
            pharmaceutical 19356
              drug 19356
                protective agent 17739
                  geroprotector 16520
                    17beta-estradiol 9880
                      17alpha-ethynylestradiol 5259
                        17alpha-ethynylestradiol 3-sulfate 0
    Path 2
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      CHEBI ontology 19800
        subatomic particle 19799
          composite particle 19799
            hadron 19799
              baryon 19799
                nucleon 19799
                  atomic nucleus 19799
                    atom 19799
                      main group element atom 19698
                        p-block element atom 19698
                          carbon group element atom 19619
                            carbon atom 19609
                              organic molecular entity 19609
                                organic molecule 19549
                                  organic cyclic compound 19343
                                    organic polycyclic compound 16570
                                      steroid 13347
                                        hydroxy steroid 12976
                                          3-hydroxy steroid 10368
                                            phenolic steroid 9885
                                              estradiol 9880
                                                17beta-estradiol 9880
                                                  17alpha-ethynylestradiol 5259
                                                    17alpha-ethynylestradiol 3-sulfate 0
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