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> Main
CHEBI:79763 - estra-1,3,5(10)-triene-3,16β-diol
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ChEBI Ontology
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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.
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This entity has been manually annotated by the ChEBI Team.
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Molfile
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
View more database links
Registry Numbers
Types
Sources
1090-04-6
CAS Registry Number
ChemIDplus
3207293
Reaxys Registry Number
Reaxys
Last Modified
03 March 2015