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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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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 26496
        role 26318
          application 25582
            pharmaceutical 25001
              drug 24998
                protective agent 20797
                  geroprotector 19079
                    17beta-estradiol 11787
                      17alpha-ethynylestradiol 5292
                        17alpha-ethynylestradiol 3-sulfate 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 26496
        subatomic particle 26472
          composite particle 26472
            hadron 26472
              baryon 26472
                nucleon 26472
                  atomic nucleus 26472
                    atom 26472
                      main group element atom 26208
                        p-block element atom 26208
                          carbon group element atom 25651
                            carbon atom 25613
                              organic molecular entity 25613
                                organic molecule 25357
                                  organic cyclic compound 24410
                                    organic polycyclic compound 18993
                                      steroid 15893
                                        hydroxy steroid 15573
                                          3-hydroxy steroid 13567
                                            phenolic steroid 11793
                                              estradiol 11787
                                                17beta-estradiol 11787
                                                  17alpha-ethynylestradiol 5292
                                                    17alpha-ethynylestradiol 3-sulfate 0
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