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The Prescription of Drugs Ontology
Last uploaded:
September 4, 2020
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| Preferred Name | Ethinyl Estradiol | |
| Synonyms |
Ethinylestradiol 17alpha-Ethinyl estradiol 17-ethinyl-3,17-estradiol Ethynyl estradiol 17-ethinylestradiol Ethinyl estradiol ethinyloestradiol 17-ethinyl-3,17-oestradiol 17alpha-ethynylestra-1,3,5(10)-triene-3,17beta-diol 17alpha-ethynylestradiol |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_4903 |
|
| alternative term |
Ethinylestradiol 17alpha-Ethinyl estradiol 17-ethinyl-3,17-estradiol Ethynyl estradiol 17-ethinylestradiol Ethinyl estradiol ethinyloestradiol 17-ethinyl-3,17-oestradiol 17alpha-ethynylestra-1,3,5(10)-triene-3,17beta-diol 17alpha-ethynylestradiol
|
|
| bearer_of | ||
| charge |
0
|
|
| database_cross_reference |
CAS:57-63-6 Reaxys:2419975 Drug_Central:1082 KEGG:D00554 DrugBank:DB00977 LIPID_MAPS_instance:LMST02010036 KEGG:C07534 HMDB:HMDB0001926 LINCS:LSM-5593 Beilstein:2419975 PMID:20189629 VSDB:1887
|
|
| formula |
C20H24O2
|
|
| has functional parent | ||
| has role | ||
| has_exact_synonym |
17alpha-ethynylestra-1,3,5(10)-triene-3,17beta-diol 17alpha-ethynylestradiol
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Ethinylestradiol 17alpha-Ethinyl estradiol 17-ethinyl-3,17-estradiol Ethynyl estradiol 17-ethinylestradiol Ethinyl estradiol ethinyloestradiol 17-ethinyl-3,17-oestradiol
|
|
| has_RxCUI |
4124
|
|
| id |
CHEBI:4903
|
|
| in_subset | ||
| inchi |
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
|
|
| label |
17alpha-ethynylestradiol Ethinyl Estradiol
|
|
| mass |
296.40336
|
|
| monoisotopicmass |
296.17763
|
|
| notation |
CHEBI:4903
|
|
| prefixIRI |
CHEBI:4903
|
|
| prefLabel |
Ethinyl Estradiol
|
|
| smiles |
[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]3(O)C#C)[C@]1([H])CCc1cc(O)ccc21
|
|
| textual 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.
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_36838 |
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