CHEBI:62844 - estra-1,3,5(10)-trien-3-ol

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ChEBI Name estra-1,3,5(10)-trien-3-ol
ChEBI ID CHEBI:62844
Definition A 3-hydroxy steroid resulting from deoxygenation at position 17 of estradiol or estrone.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:133355
Supplier Information
Download Molfile XML SDF
Formula C18H24O
Net Charge 0
Average Mass 256.383
Monoisotopic Mass 256.183
InChI InChI=1S/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3/t15-,16-,17+,18+/m1/s1
InChIKey HJKVPZJVBHWFCQ-BDXSIMOUSA-N
SMILES C1=C2C(CC[C@]3([C@@]4(CCC[C@]4(CC[C@@]32[H])C)[H])[H])=CC(=C1)O
Metabolite of Species Details
Glycine max (NCBI:txid3847) Found in seed (BTO:0001226). See: MetaboLights Study
Glycine max (NCBI:txid3847) Found in seed (BTO:0001226). See: PubMed
Glycine max (NCBI:txid3847) Found in seed (BTO:0001226). See: MetaboLights Study
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.
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ChEBI Ontology
Outgoing estra-1,3,5(10)-trien-3-ol (CHEBI:62844) has parent hydride estrane (CHEBI:23966)
estra-1,3,5(10)-trien-3-ol (CHEBI:62844) has role estrogen (CHEBI:50114)
estra-1,3,5(10)-trien-3-ol (CHEBI:62844) is a 3-hydroxy steroid (CHEBI:36834)
estra-1,3,5(10)-trien-3-ol (CHEBI:62844) is a phenols (CHEBI:33853)
IUPAC Names
estra-1(10),2,4-trien-3-ol
estra-1,3,5(10)-trien-3-ol
Synonyms Sources
17-Deoxyestradiol ChemIDplus
17-Deoxyestrone ChemIDplus
17-Deoxyoestrone NIST Chemistry WebBook
17-Desoxyestrone NIST Chemistry WebBook
3-Hydroxyestra-1,3,5(10)-triene ChemIDplus
OESTRA-1,3,5(10)-TRIEN-3-OL NIST Chemistry WebBook
Registry Numbers Types Sources
2561511 Reaxys Registry Number Reaxys
53-63-4 CAS Registry Number NIST Chemistry WebBook
53-63-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11020455 PubMed citation Europe PMC
11258977 PubMed citation Europe PMC
11812141 PubMed citation Europe PMC
18295496 PubMed citation Europe PMC
19762246 PubMed citation Europe PMC
Last Modified
24 February 2017