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CHEBI:87593 - 15α-hydroxyestradiol
| 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[C@H](O)[C@@]21[H] |
| InChI | InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)17(18)15(20)9-16(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17-,18-/m1/s1 |
| InChIKey | QVQMPLATUBCZMQ-GVLSGGHMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (12865317) | |
| Petromyzon marinus (ncbitaxon:7757) | - | PubMed (15193266) |
| Roles Classification |
|---|
| Biological Roles: | human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. marine xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 15α-hydroxyestradiol (CHEBI:87593) has functional parent 17β-estradiol (CHEBI:16469) |
| 15α-hydroxyestradiol (CHEBI:87593) has parent hydride estrane (CHEBI:23966) |
| 15α-hydroxyestradiol (CHEBI:87593) has role human xenobiotic metabolite (CHEBI:76967) |
| 15α-hydroxyestradiol (CHEBI:87593) has role marine xenobiotic metabolite (CHEBI:83399) |
| 15α-hydroxyestradiol (CHEBI:87593) is a 15α-hydroxy steroid (CHEBI:83147) |
| 15α-hydroxyestradiol (CHEBI:87593) is a 17β-hydroxy steroid (CHEBI:35343) |
| 15α-hydroxyestradiol (CHEBI:87593) is a 3-hydroxy steroid (CHEBI:36834) |
| 15α-hydroxyestradiol (CHEBI:87593) is a phenols (CHEBI:33853) |
| IUPAC Name |
|---|
| estra-1(10),2,4-triene-3,15α,17β-triol |
| Synonyms | Source |
|---|---|
| estra-1,3,5(10)-triene-3,15α,17β-triol | SUBMITTER |
| 3,15α,17β-trihydroxyestra-1,3,5(10)-triene | ChEBI |
| 15alpha-Hydroxyestradiol | ChemIDplus |
| Estra-1,3,5(10)-triene-3,15alpha,17-triol | ChemIDplus |
| Estra-1,3,5(10)-triene-3,15alpha,17beta-triol | NIST Chemistry WebBook |
| (15α,17β)-estra-1(10),2,4-triene-3,15,17-triol | IUPAC |
| UniProt Name | Source |
|---|---|
| 15α-hydroxy-17β-estradiol | UniProt |
| Citations |
|---|