17alpha-estradiol (CHEBI:17160)

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ChEBI Name	17α-estradiol

ChEBI ID	CHEBI:17160

ChEBI ASCII Name	17alpha-estradiol

Definition	An estradiol that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 17 (the 17α stereoisomer).

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:4862, CHEBI:23961, CHEBI:14217

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Formula

C18H24O2

Net Charge

Average Mass

272.38196

Monoisotopic Mass

272.17763

InChI

InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1

InChIKey

VOXZDWNPVJITMN-SFFUCWETSA-N

SMILES

[H][C@]12CC[C@]3(C)[C@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21

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. (via estradiol ) human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). (via estradiol )

Application(s):	geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.

ChEBI Ontology
Outgoing	17α-estradiol (CHEBI:17160) has role estrogen (CHEBI:50114) 17α-estradiol (CHEBI:17160) has role geroprotector (CHEBI:176497) 17α-estradiol (CHEBI:17160) is a 17α-hydroxy steroid (CHEBI:35342) 17α-estradiol (CHEBI:17160) is a 3-hydroxy steroid (CHEBI:36834) 17α-estradiol (CHEBI:17160) is a estradiol (CHEBI:23965)

Incoming	17α-(N-acetyl-α-D-glucosaminyl)estradiol 3-glucuronoside (CHEBI:73201) has functional parent 17α-estradiol (CHEBI:17160) 17α-(N-acetyl-D-glucosaminyl)estradiol 3-glucosiduronic acid (CHEBI:16129) has functional parent 17α-estradiol (CHEBI:17160) 17α-estradiol 17-O-(β-D-glucuronide) (CHEBI:137490) has functional parent 17α-estradiol (CHEBI:17160) 17α-estradiol 3-glucosiduronic acid (CHEBI:15822) has functional parent 17α-estradiol (CHEBI:17160)

IUPAC Name

estra-1,3,5(10)-triene-3,17α-diol

Last Modified

23 September 2021