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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:ethynodiol
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Accession:CHEBI:50785 term browser browse the term
Definition:A terminal acetylenic compound that has formula C20H28O2.
Synonyms:exact_synonym: (3beta,17beta)-17-ethynylestr-4-ene-3,17-diol;   17alpha-ethynylestr-4-ene-3beta,17beta-diol
 related_synonym: (3beta,17alpha)-19-Norpregn-4-en-20-yne-3,17-diol;   17alpha-Ethynyl-19-norandrost-4-ene-3beta,17beta-diol;   Aethynodiolum;   Ethinodiol;   Formula=C20H28O2;   InChI=1S/C20H28O2/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/h1,12,14-18,21-22H,4-11H2,2H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1;   InChIKey=JYILPERKVHXLNF-QMNUTNMBSA-N;   SMILES=[H][C@]12CC[C@H](O)C=C1CC[C@]1([H])[C@]2([H])CC[C@@]2(C)[C@@]1([H])CC[C@@]2(O)C#C;   etinodiol;   etynodiol;   etynodiolum
 xref: Beilstein:1997765;   CAS:1231-93-2;   KEGG:D07939;   Patent:US2843609;   Patent:US3176013


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5066
    role 5030
      biological role 5030
        molecular messenger 466
          hormone 414
            sex hormone 392
              progestogen 21
                progestin 21
                  ethynodiol 0
                    ethynodiol diacetate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5066
    subatomic particle 5057
      composite particle 5057
        hadron 5057
          baryon 5057
            nucleon 5057
              atomic nucleus 5057
                atom 5057
                  main group element atom 5026
                    p-block element atom 5023
                      carbon group element atom 4940
                        carbon atom 4939
                          organic molecular entity 4939
                            organic molecule 4887
                              organic cyclic compound 4825
                                organic polycyclic compound 166
                                  steroid 107
                                    hydroxy steroid 75
                                      17-hydroxy steroid 45
                                        17beta-hydroxy steroid 29
                                          ethynodiol 0
                                            ethynodiol diacetate 0
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