CHEBI:17160 - 17α-estradiol

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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
Supplier Information
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Formula C18H24O2
Net Charge 0
Average Mass 272.38196
Monoisotopic Mass 272.178
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): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via estradiol )
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
INN Source
alfatradiol ChemIDplus
Synonyms Sources
17alpha-Estradiol KEGG COMPOUND
17α-estradiol UniProt
α-estradiol ChemIDplus
estra-1,3,5(10)trien-3,17alpha-diol ChEBI
Estradiol-17alpha KEGG COMPOUND
Database Links Databases
C02537 KEGG COMPOUND
D07121 KEGG DRUG
HMDB0000429 HMDB
LMST02010029 LIPID MAPS
LSM-36371 LINCS
View more database links
Registry Numbers Types Sources
2190991 Gmelin Registry Number Gmelin
2698044 Beilstein Registry Number ChemIDplus
57-91-0 CAS Registry Number KEGG COMPOUND
57-91-0 CAS Registry Number NIST Chemistry WebBook
57-91-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12115026 PubMed citation Europe PMC
16042770 PubMed citation Europe PMC
24564600 PubMed citation Europe PMC
Last Modified
21 June 2017