Cell Culture Ontology

Last uploaded: July 23, 2014
Preferred Name

17alpha-ethynylestradiol
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

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

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.

formula

C20H24O2

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

id

CHEBI:4903

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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

mass

296.40336

monoisotopicmass

296.17763

notation

CHEBI:4903

preferred label

17alpha-ethynylestradiol

prefLabel

17alpha-ethynylestradiol

smiles

[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@@]3(O)C#C)[C@]1([H])CCc1cc(O)ccc21

subClassOf

http://purl.obolibrary.org/obo/CHEBI_35341

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