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CHEBI:16469 - 17β-estradiol
| Formula | C18H24O2 |
| Net Charge | 0 |
| Average Mass | 272.388 |
| Monoisotopic Mass | 272.17763 |
| SMILES | [H][C@@]12CCc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] |
| InChI | InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 |
| InChIKey | VOXZDWNPVJITMN-ZBRFXRBCSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Daphnia magna (ncbitaxon:35525) | - | Article (Changes in the Metabolic Elimination Profile of Testosterone Following Exposure of the Crustacean Daphnia magna to TributyltinGerald A. LeBlanc and James B. McLachlanEcotoxicology and Environmental Safety 45, 296-303 (2000)) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Biological Roles: | Daphnia magna metabolite A Daphnia metabolite produced by the species Daphnia magna. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). 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. EC 1.2.3.1 (aldehyde oxidase) inhibitor An EC 1.2.3.* (oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor) inhibitor which interferes with the action of aldehyde oxidase (EC 1.2.3.1). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). 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: | geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 17β-estradiol (CHEBI:16469) has role Daphnia magna metabolite (CHEBI:83056) |
| 17β-estradiol (CHEBI:16469) has role EC 1.2.3.1 (aldehyde oxidase) inhibitor (CHEBI:62872) |
| 17β-estradiol (CHEBI:16469) has role estrogen (CHEBI:50114) |
| 17β-estradiol (CHEBI:16469) has role geroprotector (CHEBI:176497) |
| 17β-estradiol (CHEBI:16469) has role human metabolite (CHEBI:77746) |
| 17β-estradiol (CHEBI:16469) has role mouse metabolite (CHEBI:75771) |
| 17β-estradiol (CHEBI:16469) is a 17β-hydroxy steroid (CHEBI:35343) |
| 17β-estradiol (CHEBI:16469) is a estradiol (CHEBI:23965) |
| Incoming Relation(s) |
| 11β-hydroxy-17β-estradiol (CHEBI:62848) has functional parent 17β-estradiol (CHEBI:16469) |
| 15α-hydroxyestradiol (CHEBI:87593) has functional parent 17β-estradiol (CHEBI:16469) |
| 16β-hydroxyestradiol (CHEBI:87620) has functional parent 17β-estradiol (CHEBI:16469) |
| 17α-ethynylestradiol (CHEBI:4903) has functional parent 17β-estradiol (CHEBI:16469) |
| 17β-estradiol 17-glucosiduronic acid (CHEBI:791) has functional parent 17β-estradiol (CHEBI:16469) |
| 17β-estradiol 17-sulfate (CHEBI:191192) has functional parent 17β-estradiol (CHEBI:16469) |
| 17β-estradiol 3-O-carboxymethyl ether (CHEBI:138727) has functional parent 17β-estradiol (CHEBI:16469) |
| 17β-estradiol 3-benzoate (CHEBI:77006) has functional parent 17β-estradiol (CHEBI:16469) |
| 17β-estradiol 3-glucosiduronic acid (CHEBI:36489) has functional parent 17β-estradiol (CHEBI:16469) |
| 17β-estradiol 3-sulfate (CHEBI:4866) has functional parent 17β-estradiol (CHEBI:16469) |
| 17β-estradiol 3-sulfate 17-(β-D-glucosiduronic acid) (CHEBI:792) has functional parent 17β-estradiol (CHEBI:16469) |
| 17β-estradiol 6-O-(carboxymethyl)oxime (CHEBI:42319) has functional parent 17β-estradiol (CHEBI:16469) |
| 2-hydroxy-17β-estradiol (CHEBI:28744) has functional parent 17β-estradiol (CHEBI:16469) |
| 2-hydroxyestradiol 3-methyl ether (CHEBI:89268) has functional parent 17β-estradiol (CHEBI:16469) |
| 2-methoxy-17β-estradiol (CHEBI:28955) has functional parent 17β-estradiol (CHEBI:16469) |
| 2-methoxy-17β-estradiol 3-sulfate (CHEBI:1188) has functional parent 17β-estradiol (CHEBI:16469) |
| 4-hydroxy-17β-estradiol (CHEBI:62845) has functional parent 17β-estradiol (CHEBI:16469) |
| 4-methoxy-17β-estradiol (CHEBI:136975) has functional parent 17β-estradiol (CHEBI:16469) |
| 6α-hydroxy-17β-estradiol (CHEBI:62847) has functional parent 17β-estradiol (CHEBI:16469) |
| 6β-[N-(carboxymethylamino)carbonyl]methoxy-17β-estradiol (CHEBI:62852) has functional parent 17β-estradiol (CHEBI:16469) |
| 6β-hydroxy-17β-estradiol (CHEBI:16784) has functional parent 17β-estradiol (CHEBI:16469) |
| 7α-hydroxyestradiol (CHEBI:87598) has functional parent 17β-estradiol (CHEBI:16469) |
| estramustine (CHEBI:4868) has functional parent 17β-estradiol (CHEBI:16469) |
| ICI-164384 (CHEBI:40710) has functional parent 17β-estradiol (CHEBI:16469) |
| mestranol (CHEBI:6784) has functional parent 17β-estradiol (CHEBI:16469) |
| quinestrol (CHEBI:8716) has functional parent 17β-estradiol (CHEBI:16469) |
| U-73122 (CHEBI:90690) has functional parent 17β-estradiol (CHEBI:16469) |
| IUPAC Name |
|---|
| estra-1,3,5(10)-triene-3,17β-diol |
| Synonyms | Source |
|---|---|
| Estradiol-17beta | KEGG COMPOUND |
| beta-Estradiol | KEGG COMPOUND |
| Estradiol | KEGG COMPOUND |
| 17β-estradiol | NIST Chemistry WebBook |
| 17β-oestradiol | NIST Chemistry WebBook |
| (17β)-estra-1,3,5(10)-triene-3,17-diol | ChemIDplus |
| UniProt Name | Source |
|---|---|
| 17β-estradiol | UniProt |
| Citations |
|---|