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CHEBI:136975 - 4-methoxy-17β-estradiol
| Formula | C19H26O3 |
| Net Charge | 0 |
| Average Mass | 302.414 |
| Monoisotopic Mass | 302.18819 |
| SMILES | [H][C@@]12CCc3c(ccc(O)c3OC)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H] |
| InChI | InChI=1S/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,17+,19+/m1/s1 |
| InChIKey | BCWZIZLVBYHFES-PYEWSWHRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rattus norvegicus (ncbitaxon:10116) | - | PubMed (28219710) | |
| Homo sapiens (ncbitaxon:9606) | - | PubMed (26180245) |
| 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. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-methoxy-17β-estradiol (CHEBI:136975) has functional parent 17β-estradiol (CHEBI:16469) |
| 4-methoxy-17β-estradiol (CHEBI:136975) has role estrogen (CHEBI:50114) |
| 4-methoxy-17β-estradiol (CHEBI:136975) has role human metabolite (CHEBI:77746) |
| 4-methoxy-17β-estradiol (CHEBI:136975) has role rat metabolite (CHEBI:86264) |
| 4-methoxy-17β-estradiol (CHEBI:136975) is a 17β-hydroxy steroid (CHEBI:35343) |
| 4-methoxy-17β-estradiol (CHEBI:136975) is a 3-hydroxy steroid (CHEBI:36834) |
| 4-methoxy-17β-estradiol (CHEBI:136975) is a aromatic ether (CHEBI:35618) |
| 4-methoxy-17β-estradiol (CHEBI:136975) is a phenols (CHEBI:33853) |
| Incoming Relation(s) |
| 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137966) has functional parent 4-methoxy-17β-estradiol (CHEBI:136975) |
| IUPAC Name |
|---|
| 4-methoxyestra-1,3,5(10)-triene-3,17β-diol |
| Synonyms | Source |
|---|---|
| 4-MeOE2 | HMDB |
| 4-Methoxyestradiol | ChemIDplus |
| 4-Methoxyestradiol-17beta | ChemIDplus |
| 4-Methoxy-3,17beta-dihydroxy-1,3,5[10]-estratriene | HMDB |
| (17β)-4-methoxyestra-1,3,5(10)-triene-3,17-diol | IUPAC |
| UniProt Name | Source |
|---|---|
| 4-methoxy-17β-estradiol | UniProt |
| Manual Xrefs | Databases |
|---|---|
| HMDB0012782 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5753018 | Reaxys |
| CAS:26788-23-8 | ChemIDplus |
| Citations |
|---|