CHEBI:87620 - 16β-hydroxyestradiol

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ChEBI Name 16β-hydroxyestradiol ChEBI ID CHEBI:87620 ChEBI ASCII Name 16beta-hydroxyestradiol Definition A 3-hydroxy steroid that is 17β-estradiol substituted by a β-hydroxy group at position 16. 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 C18H24O3 Net Charge 0 Average Mass 288.382 Monoisotopic Mass 288.17254 InChI InChI=1S/C18H24O3/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/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17+,18+/m1/s1 InChIKey PROQIPRRNZUXQM-ZMSHIADSSA-N SMILES C1=C2C(CC[C@]3([C@@]4(C[C@@H]([C@@H]([C@]4(CC[C@@]32[H])C)O)O)[H])[H])=CC(=C1)O Roles Classification Biological Role(s): human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. Application(s): anti-inflammatory drug A substance that reduces or suppresses inflammation. View more via ChEBI Ontology ChEBI Ontology Outgoing 16β-hydroxyestradiol (CHEBI:87620) has functional parent 17β-estradiol (CHEBI:16469) 16β-hydroxyestradiol (CHEBI:87620) has parent hydride estrane (CHEBI:23966) 16β-hydroxyestradiol (CHEBI:87620) has role anti-inflammatory drug (CHEBI:35472) 16β-hydroxyestradiol (CHEBI:87620) has role human xenobiotic metabolite (CHEBI:76967) 16β-hydroxyestradiol (CHEBI:87620) is a 16β-hydroxy steroid (CHEBI:17354) 16β-hydroxyestradiol (CHEBI:87620) is a 17β-hydroxy steroid (CHEBI:35343) 16β-hydroxyestradiol (CHEBI:87620) is a 3-hydroxy steroid (CHEBI:36834) 16β-hydroxyestradiol (CHEBI:87620) is a phenolic steroid (CHEBI:177917) 16β-hydroxyestradiol (CHEBI:87620) is a phenols (CHEBI:33853) Incoming 16-epiestriol 16-O-(β-D-glucuronide) (CHEBI:137723) has functional parent 16β-hydroxyestradiol (CHEBI:87620) 16-epiestriol 3-O-(β-D-glucuronide) (CHEBI:137720) has functional parent 16β-hydroxyestradiol (CHEBI:87620) IUPAC Names (16β,17β)-estra-1(10),2,4-triene-3,16,17-triol estra-1(10),2,4-triene-3,16β,17β-triol INNs Sources epiestriol ChemIDplus epiestriolum ChemIDplus Synonyms Sources 16-Epiestriol HMDB 16β,17β-estriol HMDB 16β,17β-estriol UniProt Actriol HMDB Epioestriolum ChemIDplus estra-1,3,5(10)-triene-3,16β,17-triol HMDB Estra-1,3,5(10)-triene-3,16beta,17beta-triol ChemIDplus estra-1,3,5(10)-triene-3,16β,17β-triol SUBMITTER Manual Xref Database HMDB0000347 HMDB View more database links Registry Numbers Types Sources 3210437 Reaxys Registry Number Reaxys 547-81-9 CAS Registry Number ChemIDplus Citations Types Sources 12865317 PubMed citation SUBMITTER 9120824 PubMed citation Europe PMC 9858313 PubMed citation Europe PMC Last Modified 10 July 2017