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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:etonogestrel
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Accession:CHEBI:50777 term browser browse the term
Definition:A terminal acetylenic compound that has formula C22H28O2.
Synonyms:related_synonym: 17alpha-ethynyl-17beta-hydroxy-11-methylidene-18a-homo-estr-4-en-3-one;   3-Ketodesogestrel;   3-Oxodesogestrel;   Implanon;   etonogestrelum
 xref: Beilstein:4237530;   CAS:54048-10-1;   DrugBank:DB00294
 xref_mesh: MESH:C044815
 xref: Patent:EP51762;   Patent:US4371529;   drugcentral:1110;   kegg.drug:D04104
 chemrof_formula: C22H28O2
 chemrof_inchikey: GCKFUYQCUCGESZ-BPIQYHPVSA-N
 chemrof_inchi: InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1
 chemrof_smiles: [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@@]21[H]


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etonogestrel term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 affects metabolic processing ISO CYP3A4 protein affects the metabolism of etonogestrel CTD PMID:15963096 NCBI chr12:14,321,771...14,343,886
Ensembl chr12:14,321,771...14,343,857 		JBrowse link
G F2 coagulation factor II, thrombin multiple interactions EXP etonogestrel promotes the reaction [F2 protein results in increased expression of F3 mRNA] CTD PMID:11733402 NCBI chr 3:98,051,958...98,065,246
Ensembl chr 3:98,051,960...98,065,246 		JBrowse link
G F2r coagulation factor II (thrombin) receptor multiple interactions
increases expression 		EXP Mifepristone inhibits the reaction [etonogestrel results in increased expression of F2R mRNA] CTD PMID:11733402 NCBI chr 2:28,604,066...28,620,579
Ensembl chr 2:28,604,066...28,620,579 		JBrowse link
G F3 coagulation factor III, tissue factor multiple interactions EXP etonogestrel promotes the reaction [F2 protein results in increased expression of F3 mRNA] CTD PMID:11733402 NCBI chr 2:212,511,675...212,523,375
Ensembl chr 2:212,511,680...212,523,369 		JBrowse link
G Pgr progesterone receptor increases expression ISO etonogestrel results in increased expression of PGR protein CTD PMID:11041225 NCBI chr 8:14,354,398...14,413,271
Ensembl chr 8:14,354,398...14,413,271 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20874
    chemical entity 20872
      group 20774
        organic group 19348
          3-oxo-Delta(4)-steroid group 9086
            3-oxo-Delta(4) steroid 9083
              etonogestrel 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            heteroorganic entity 20201
                              organochalcogen compound 19822
                                organooxygen compound 19713
                                  carbonyl compound 18827
                                    ketone 17484
                                      oxo steroid 9896
                                        3-oxo steroid 9875
                                          3-oxo-Delta(4) steroid 9083
                                            etonogestrel 5
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