CHEBI:87628 - 16β-hydroxyestrone

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ChEBI Name 16β-hydroxyestrone
ChEBI ID CHEBI:87628
ChEBI ASCII Name 16beta-hydroxyestrone
Definition A 3-hydroxy steroid that is estrone 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 C18H22O3
Net Charge 0
Average Mass 286.366
Monoisotopic Mass 286.15689
InChI InChI=1S/C18H22O3/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/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,18+/m1/s1
InChIKey WPOCIZJTELRQMF-LFRCEIEQSA-N
SMILES C1[C@]2([C@]3([C@@](C4=C(C=C(O)C=C4)CC3)(CC[C@@]2(C(=O)[C@H]1O)C)[H])[H])[H]
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): 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.
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 16β-hydroxyestrone (CHEBI:87628) has functional parent estrone (CHEBI:17263)
16β-hydroxyestrone (CHEBI:87628) has parent hydride estrane (CHEBI:23966)
16β-hydroxyestrone (CHEBI:87628) has role estrogen (CHEBI:50114)
16β-hydroxyestrone (CHEBI:87628) has role human xenobiotic metabolite (CHEBI:76967)
16β-hydroxyestrone (CHEBI:87628) is a 16β-hydroxy steroid (CHEBI:17354)
16β-hydroxyestrone (CHEBI:87628) is a 17-oxo steroid (CHEBI:19168)
16β-hydroxyestrone (CHEBI:87628) is a 3-hydroxy steroid (CHEBI:36834)
16β-hydroxyestrone (CHEBI:87628) is a phenols (CHEBI:33853)
16β-hydroxyestrone (CHEBI:87628) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name
3,16β-dihydroxyestra-1,3,5(10)-trien-17-one
Synonyms Sources
(16β)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one IUPAC
16-Hydroxyestrone HMDB
16beta-Hydroxyestrone HMDB
16β-hydroxyestrone UniProt
3,16-Dihydroxyestra-1,3,5(10)-trien-17-one HMDB
3,16β-dihydroxy-estra-1,3,5(10)-trien-17-one SUBMITTER
Manual Xrefs Databases
HMDB0000313 HMDB
LMST02010046 LIPID MAPS
View more database links
Registry Numbers Types Sources
3214336 Reaxys Registry Number Reaxys
966-06-3 CAS Registry Number HMDB
Citation Waiting for Citations Type Source
12865317 PubMed citation SUBMITTER
Last Modified
06 February 2018