CHEBI:776 - 16α-hydroxyestrone

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ChEBI Name 16α-hydroxyestrone
ChEBI ASCII Name 16alpha-hydroxyestrone
Definition The 16α-hydroxy derivative of estrone; a minor estrogen metabolite.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:60497
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Formula C18H22O3
Net Charge 0
Average Mass 286.371
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
SMILES [H][C@@]12C[C@@H](O)C(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
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 urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
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ChEBI Ontology
Outgoing 16α-hydroxyestrone (CHEBI:776) has functional parent estrone (CHEBI:17263)
16α-hydroxyestrone (CHEBI:776) has role estrogen (CHEBI:50114)
16α-hydroxyestrone (CHEBI:776) has role human blood serum metabolite (CHEBI:85234)
16α-hydroxyestrone (CHEBI:776) has role human urinary metabolite (CHEBI:84087)
16α-hydroxyestrone (CHEBI:776) has role mouse metabolite (CHEBI:75771)
16α-hydroxyestrone (CHEBI:776) is a 16α-hydroxy steroid (CHEBI:16799)
16α-hydroxyestrone (CHEBI:776) is a 17-oxo steroid (CHEBI:19168)
16α-hydroxyestrone (CHEBI:776) is a 3-hydroxy steroid (CHEBI:36834)
16α-hydroxyestrone (CHEBI:776) is a secondary α-hydroxy ketone (CHEBI:2468)
Incoming 16α-hydroxyestrone 16-O-(β-D-glucuronide) (CHEBI:137489) has functional parent 16α-hydroxyestrone (CHEBI:776)
16α-hydroxyestrone 16-O-(β-D-glucuronide)(1−) (CHEBI:136636) has functional parent 16α-hydroxyestrone (CHEBI:776)
16α-hydroxyestrone 3-O-(β-D-glucuronide) (CHEBI:137488) has functional parent 16α-hydroxyestrone (CHEBI:776)
16α-hydroxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136635) has functional parent 16α-hydroxyestrone (CHEBI:776)
Synonyms Sources
16 alpha OHE ChEBI
16α-hydroxyestrone UniProt
16alpha-Hydroxyestrone KEGG COMPOUND
16alpha-OHE ChEBI
16alpha-OHE1 ChEBI
3,16α-dihydroxy-1,3,5(10)-estratrien-17-one LIPID MAPS
3,16alpha-Dihydroxyestra-1,3,5(10)-trien-17-one ChemIDplus
estra-1,3,5(10)-triene-3,16α-diol-17-one ChEBI
Manual Xrefs Databases
103012 ChemSpider
16-Hydroxyestrone Wikipedia
FDB021959 FooDB
HMDB0000335 HMDB
J2Z PDBeChem
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Registry Numbers Types Sources
3214335 Beilstein Registry Number Beilstein
566-76-7 CAS Registry Number KEGG COMPOUND
566-76-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10399881 PubMed citation Europe PMC
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Last Modified
02 June 2021