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CHEBI:136600 - 17α-ethynylestradiol 3-sulfate
| Formula | C20H24O5S |
| Net Charge | 0 |
| Average Mass | 376.474 |
| Monoisotopic Mass | 376.13444 |
| SMILES | [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])c3ccc(OS(=O)(=O)O)cc3CC[C@@]21[H] |
| InChI | InChI=1S/C20H24O5S/c1-3-20(21)11-9-18-17-6-4-13-12-14(25-26(22,23)24)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21H,4,6,8-11H2,2H3,(H,22,23,24)/t16-,17-,18+,19+,20+/m1/s1 |
| InChIKey | WLGIWVFFGMPRLM-SLHNCBLASA-N |
| Roles Classification |
|---|
| Biological Role: | estrogen A hormone that stimulates or controls the development and maintenance of female sex characteristics in mammals by binding to oestrogen receptors. The oestrogens are named for their importance in the oestrous cycle. The oestrogens that occur naturally in the body, notably estrone, estradiol, estriol, and estetrol are steroids. Other compounds with oestrogenic activity are produced by plants (phytoestrogens) and fungi (mycoestrogens); synthetic compounds with oestrogenic activity are known as xenoestrogens. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 17α-ethynylestradiol 3-sulfate (CHEBI:136600) has functional parent 17α-ethynylestradiol (CHEBI:4903) |
| 17α-ethynylestradiol 3-sulfate (CHEBI:136600) has role antineoplastic agent (CHEBI:35610) |
| 17α-ethynylestradiol 3-sulfate (CHEBI:136600) has role estrogen (CHEBI:50114) |
| 17α-ethynylestradiol 3-sulfate (CHEBI:136600) is a 17β-hydroxy steroid (CHEBI:35343) |
| 17α-ethynylestradiol 3-sulfate (CHEBI:136600) is a steroid sulfate (CHEBI:16158) |
| 17α-ethynylestradiol 3-sulfate (CHEBI:136600) is conjugate acid of 17α-ethynylestradiol 3-sulfate(1−) (CHEBI:133978) |
| Incoming Relation(s) |
| 17α-ethynylestradiol 3-sulfate(1−) (CHEBI:133978) is conjugate base of 17α-ethynylestradiol 3-sulfate (CHEBI:136600) |
| IUPAC Name |
|---|
| (17α)-17-hydroxy-19-norpregna-1,3,5(10)-trien-20-yn-3-yl hydrogen sulfate |
| Synonyms | Source |
|---|---|
| 17α-ethynylestradiol sulfate | ChEBI |
| Ethinyl estradiol sulfate | ChemIDplus |
| Ethinyl estradiol sulfonate | ChemIDplus |
| Ethinylestradiol-3-sulfate | ChemIDplus |
| Ethynylestradiol sulphate | ChemIDplus |
| 17α-ethinylestradiol 3-sulfate | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5632104 | Reaxys |
| CAS:24560-70-1 | ChemIDplus |
| Citations |
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