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CHEBI:776 - 16α-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-QFXBJFAPSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| - | DOI (10.1038/nbt.2488) | ||
| blood serum (BTO:0000133) | PubMed (14569192) | ||
| urine (BTO:0001419) | PubMed (10728690) | ||
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Biological Roles: | human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples. 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) |
| 16α-hydroxyestrone (CHEBI:776) has functional parent estrone (CHEBI:17263) |
| 16α-hydroxyestrone (CHEBI:776) has role estrogen (CHEBI:50114) |
| 16α-hydroxyestrone (CHEBI:776) has role human blood serum metabolite (CHEBI:85234) |
| 16α-hydroxyestrone (CHEBI:776) has role human urinary metabolite (CHEBI:84087) |
| 16α-hydroxyestrone (CHEBI:776) has role mouse metabolite (CHEBI:75771) |
| 16α-hydroxyestrone (CHEBI:776) is a 16α-hydroxy steroid (CHEBI:16799) |
| 16α-hydroxyestrone (CHEBI:776) is a 17-oxo steroid (CHEBI:19168) |
| 16α-hydroxyestrone (CHEBI:776) is a 3-hydroxy steroid (CHEBI:36834) |
| 16α-hydroxyestrone (CHEBI:776) is a secondary α-hydroxy ketone (CHEBI:2468) |
| Incoming Relation(s) |
| 16α-hydroxyestrone 16-O-(β-D-glucuronide) (CHEBI:137489) has functional parent 16α-hydroxyestrone (CHEBI:776) |
| 16α-hydroxyestrone 16-O-(β-D-glucuronide)(1−) (CHEBI:136636) has functional parent 16α-hydroxyestrone (CHEBI:776) |
| 16α-hydroxyestrone 3-O-(β-D-glucuronide) (CHEBI:137488) has functional parent 16α-hydroxyestrone (CHEBI:776) |
| 16α-hydroxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136635) has functional parent 16α-hydroxyestrone (CHEBI:776) |
| IUPAC Name |
|---|
| 3,16α-dihydroxyestra-1,3,5(10)-trien-17-one |
| Synonyms | Source |
|---|---|
| 16alpha-Hydroxyestrone | KEGG COMPOUND |
| 16 alpha OHE | ChEBI |
| 3,16alpha-Dihydroxyestra-1,3,5(10)-trien-17-one | ChemIDplus |
| estra-1,3,5(10)-triene-3,16α-diol-17-one | ChEBI |
| 3,16α-dihydroxy-1,3,5(10)-estratrien-17-one | LIPID MAPS |
| 16alpha-OHE1 | ChEBI |
| UniProt Name | Source |
|---|---|
| 16α-hydroxyestrone | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C05300 | KEGG COMPOUND |
| LMST02010041 | LIPID MAPS |
| HMDB0000335 | HMDB |
| J2Z | PDBeChem |
| FDB021959 | FooDB |
| 103012 | ChemSpider |
| 16-Hydroxyestrone | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Beilstein:3214335 | Beilstein |
| CAS:566-76-7 | KEGG COMPOUND |
| CAS:566-76-7 | ChemIDplus |
| Citations |
|---|