16alpha-hydroxyestrone (CHEBI:776)

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ChEBI Name	16α-hydroxyestrone

ChEBI ID	CHEBI:776

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

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

InChIKey

WPOCIZJTELRQMF-QFXBJFAPSA-N

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. 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 urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples.

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)

IUPAC Name

3,16α-dihydroxyestra-1,3,5(10)-trien-17-one

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

Last Modified

02 June 2021