CHEBI:79763 - estra-1,3,5(10)-triene-3,16β-diol

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ChEBI Name estra-1,3,5(10)-triene-3,16β-diol
ChEBI ID CHEBI:79763
ChEBI ASCII Name estra-1,3,5(10)-triene-3,16beta-diol
Definition A 3-hydroxy steroid that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 16.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H24O2
Net Charge 0
Average Mass 272.38200
Monoisotopic Mass 272.17763
InChI InChI=1S/C18H24O2/c1-18-7-6-15-14-5-3-12(19)8-11(14)2-4-16(15)17(18)9-13(20)10-18/h3,5,8,13,15-17,19-20H,2,4,6-7,9-10H2,1H3/t13-,15+,16+,17-,18+/m0/s1
InChIKey DVMAUGGKVWJBDV-IREHDKGXSA-N
SMILES C[C@@]12C[C@@H](O)C[C@H]1[C@@H]1CCc3cc(O)ccc3[C@H]1CC2
ChEBI Ontology
Outgoing estra-1,3,5(10)-triene-3,16β-diol (CHEBI:79763) has parent hydride estrane (CHEBI:23966)
estra-1,3,5(10)-triene-3,16β-diol (CHEBI:79763) is a 16β-hydroxy steroid (CHEBI:17354)
estra-1,3,5(10)-triene-3,16β-diol (CHEBI:79763) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name
estra-1,3,5(10)-triene-3,16β-diol
Synonyms Sources
16beta-Estradiol KEGG COMPOUND
Estradiol-16 ChemIDplus
Manual Xref Database
C15261 KEGG COMPOUND
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Registry Numbers Types Sources
1090-04-6 CAS Registry Number ChemIDplus
3207293 Reaxys Registry Number Reaxys
Last Modified
03 March 2015