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
Formula C18H24O3
Net Charge 0
Average Mass 288.382
Monoisotopic Mass 288.173
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 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 Waiting for Citations Types Sources
12865317 PubMed citation SUBMITTER
9120824 PubMed citation Europe PMC
9858313 PubMed citation Europe PMC
Last Modified
10 July 2017