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CHEBI:27974 - estriol
| Formula | C18H24O3 |
| Net Charge | 0 |
| Average Mass | 288.387 |
| Monoisotopic Mass | 288.17254 |
| SMILES | [H][C@@]12CCc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)[C@H](O)C[C@@]21[H] |
| InChI | InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1 |
| InChIKey | PROQIPRRNZUXQM-ZXXIGWHRSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Biological Roles: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| estriol (CHEBI:27974) has parent hydride estrane (CHEBI:23966) |
| estriol (CHEBI:27974) has role estrogen (CHEBI:50114) |
| estriol (CHEBI:27974) has role human metabolite (CHEBI:77746) |
| estriol (CHEBI:27974) has role human xenobiotic metabolite (CHEBI:76967) |
| estriol (CHEBI:27974) has role mouse metabolite (CHEBI:75771) |
| estriol (CHEBI:27974) is a 16α-hydroxy steroid (CHEBI:16799) |
| estriol (CHEBI:27974) is a 17β-hydroxy steroid (CHEBI:35343) |
| estriol (CHEBI:27974) is a 3-hydroxy steroid (CHEBI:36834) |
| Incoming Relation(s) |
| 3-(allyloxy)estra-1,3,5(10)-triene-16α,17β-diol (CHEBI:79756) has functional parent estriol (CHEBI:27974) |
| 6-ketoestriol (CHEBI:145763) has functional parent estriol (CHEBI:27974) |
| estriol 16-O-(β-D-glucuronide) (CHEBI:766) has functional parent estriol (CHEBI:27974) |
| estriol 3-O-(β-D-glucuronide) (CHEBI:45869) has functional parent estriol (CHEBI:27974) |
| IUPAC Name |
|---|
| estra-1,3,5(10)-triene-3,16α,17β-triol |
| Synonyms | Source |
|---|---|
| 1,3,5(10)-Estratriene-3,16-alpha,17beta-triol | KEGG COMPOUND |
| (16α,17β)-estra-1,3,5(10)-triene-3,16,17-triol | NIST Chemistry WebBook |
| 16α-hydroxyestradiol | NIST Chemistry WebBook |
| 3,16α,17β-trihydroxy-Δ1,3,5-estratriene | NIST Chemistry WebBook |
| Estriol | KEGG COMPOUND |
| ESTRIOL | PDBeChem |
| Brand Names | Source |
|---|---|
| Deuslon-A | DrugBank |
| Estriel | DrugBank |
| UniProt Name | Source |
|---|---|
| 16α,17β-estriol | UniProt |
| Citations |
|---|