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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 26490
        role 26267
          application 25573
            pharmaceutical 24991
              drug 24988
                protective agent 20807
                  geroprotector 19091
                    17beta-estradiol 11785
                      17alpha-ethynylestradiol 5299
                        17alpha-ethynylestradiol 3-sulfate 0
    Path 2
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      CHEBI ontology 26490
        subatomic particle 26466
          composite particle 26466
            hadron 26411
              baryon 26411
                nucleon 26466
                  atomic nucleus 26411
                    atom 26466
                      main group element atom 26201
                        p-block element atom 26201
                          carbon group element atom 25593
                            carbon atom 25606
                              organic molecular entity 25606
                                organic molecule 25348
                                  organic cyclic compound 24401
                                    organic polycyclic compound 19009
                                      steroid 15884
                                        hydroxy steroid 15573
                                          3-hydroxy steroid 13567
                                            phenolic steroid 11791
                                              estradiol 11773
                                                17beta-estradiol 11785
                                                  17alpha-ethynylestradiol 5299
                                                    17alpha-ethynylestradiol 3-sulfate 0
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