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CHEBI:87628 - 16β-hydroxyestrone
| Formula | C18H22O3 |
| Net Charge | 0 |
| Average Mass | 286.371 |
| Monoisotopic Mass | 286.15689 |
| SMILES | [H][C@@]12C[C@H](O)C(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |
| InChI | InChI=1S/C18H22O3/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/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,18+/m1/s1 |
| InChIKey | WPOCIZJTELRQMF-LFRCEIEQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (12865317) |
| Roles Classification |
|---|
| Biological Roles: | 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. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 16β-hydroxyestrone (CHEBI:87628) has functional parent estrone (CHEBI:17263) |
| 16β-hydroxyestrone (CHEBI:87628) has parent hydride estrane (CHEBI:23966) |
| 16β-hydroxyestrone (CHEBI:87628) has role estrogen (CHEBI:50114) |
| 16β-hydroxyestrone (CHEBI:87628) has role human xenobiotic metabolite (CHEBI:76967) |
| 16β-hydroxyestrone (CHEBI:87628) is a 16β-hydroxy steroid (CHEBI:17354) |
| 16β-hydroxyestrone (CHEBI:87628) is a 17-oxo steroid (CHEBI:19168) |
| 16β-hydroxyestrone (CHEBI:87628) is a 3-hydroxy steroid (CHEBI:36834) |
| 16β-hydroxyestrone (CHEBI:87628) is a phenolic steroid (CHEBI:177917) |
| 16β-hydroxyestrone (CHEBI:87628) is a phenols (CHEBI:33853) |
| 16β-hydroxyestrone (CHEBI:87628) is a secondary α-hydroxy ketone (CHEBI:2468) |
| IUPAC Name |
|---|
| 3,16β-dihydroxyestra-1,3,5(10)-trien-17-one |
| Synonyms | Source |
|---|---|
| 3,16β-dihydroxy-estra-1,3,5(10)-trien-17-one | SUBMITTER |
| 16-Hydroxyestrone | HMDB |
| 16beta-Hydroxyestrone | HMDB |
| 3,16-Dihydroxyestra-1,3,5(10)-trien-17-one | HMDB |
| (16β)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one | IUPAC |
| UniProt Name | Source |
|---|---|
| 16β-hydroxyestrone | UniProt |
| Manual Xrefs | Databases |
|---|---|
| HMDB0000313 | HMDB |
| LMST02010046 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3214336 | Reaxys |
| CAS:966-06-3 | HMDB |
| Citations |
|---|