CHEBI:87626 - 6β-hydroxyestrone

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ChEBI Name 6β-hydroxyestrone ChEBI ID CHEBI:87626 ChEBI ASCII Name 6beta-hydroxyestrone Definition A 3-hydroxy steroid that is estrone substituted by a β-hydroxy group at position 6. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H22O3 Net Charge 0 Average Mass 286.366 Monoisotopic Mass 286.15689 InChI InChI=1S/C18H22O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-16,19-20H,4-7,9H2,1H3/t12-,13-,15+,16-,18+/m1/s1 InChIKey HTORTGVWUGQTHQ-UHOVARLQSA-N SMILES C1[C@]2([C@]3([C@@](C4=C(C=C(O)C=C4)[C@@H](C3)O)(CC[C@@]2(C(=O)C1)C)[H])[H])[H] Metabolite of Species Details Mus musculus (NCBI:txid10090) See: PubMed Roles Classification Biological Role(s): 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). View more via ChEBI Ontology ChEBI Ontology Outgoing 6β-hydroxyestrone (CHEBI:87626) has functional parent estrone (CHEBI:17263) 6β-hydroxyestrone (CHEBI:87626) has parent hydride estrane (CHEBI:23966) 6β-hydroxyestrone (CHEBI:87626) has role human xenobiotic metabolite (CHEBI:76967) 6β-hydroxyestrone (CHEBI:87626) has role mouse metabolite (CHEBI:75771) 6β-hydroxyestrone (CHEBI:87626) is a 17-oxo steroid (CHEBI:19168) 6β-hydroxyestrone (CHEBI:87626) is a 3-hydroxy steroid (CHEBI:36834) 6β-hydroxyestrone (CHEBI:87626) is a 6β-hydroxy steroid (CHEBI:36851) 6β-hydroxyestrone (CHEBI:87626) is a phenols (CHEBI:33853) IUPAC Name 3,6β-dihydroxy-estra-1,3,5(10)-trien-17-one Synonyms Sources (6β)-3,6-dihydroxyestra-1,3,5(10)-trien-17-one IUPAC 6β-hydroxyestrone UniProt Registry Number Type Source 6904811 Reaxys Registry Number Reaxys Citations Types Sources 12865317 PubMed citation SUBMITTER 1606050 PubMed citation Europe PMC 9192820 PubMed citation Europe PMC Last Modified 04 September 2015