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> Main
CHEBI:87620 - 16β-hydroxyestradiol
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ChEBI Ontology
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ChEBI Name
16β-hydroxyestradiol
ChEBI ID
CHEBI:87620
ChEBI ASCII Name
16beta-hydroxyestradiol
Definition
A 3-hydroxy steroid that is 17β-estradiol substituted by a β-hydroxy group at position 16.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Nevila Nouspikel
Supplier Information
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Molfile
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Formula
C18H24O3
Net Charge
0
Average Mass
288.382
Monoisotopic Mass
288.17254
InChI
InChI=1S/C18H24O3/c1-
18-
7-
6-
13-
12-
5-
3-
11(19)
8-
10(12)
2-
4-
14(13)
15(18)
9-
16(20)
17(18)
21/h3,5,8,13-
17,19-
21H,2,4,6-
7,9H2,1H3/t13-
,14-
,15+,16+,17+,18+/m1/s1
InChIKey
PROQIPRRNZUXQM-ZMSHIADSSA-N
SMILES
C1=C2C(CC[C@]3([C@@]4(C[C@@H]([C@@H]([C@]4(CC[C@@]32[H])C)O)O)[H])[H])=CC(=C1)O
Roles Classification
Biological Role
(s):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
Application
(s):
anti-inflammatory drug
A substance that reduces or suppresses inflammation.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
16β-hydroxyestradiol (
CHEBI:87620
)
has functional parent
17β-estradiol (
CHEBI:16469
)
16β-hydroxyestradiol (
CHEBI:87620
)
has parent hydride
estrane (
CHEBI:23966
)
16β-hydroxyestradiol (
CHEBI:87620
)
has role
anti-inflammatory drug (
CHEBI:35472
)
16β-hydroxyestradiol (
CHEBI:87620
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
16β-hydroxyestradiol (
CHEBI:87620
)
is a
16β-hydroxy steroid (
CHEBI:17354
)
16β-hydroxyestradiol (
CHEBI:87620
)
is a
17β-hydroxy steroid (
CHEBI:35343
)
16β-hydroxyestradiol (
CHEBI:87620
)
is a
3-hydroxy steroid (
CHEBI:36834
)
16β-hydroxyestradiol (
CHEBI:87620
)
is a
phenolic steroid (
CHEBI:177917
)
16β-hydroxyestradiol (
CHEBI:87620
)
is a
phenols (
CHEBI:33853
)
Incoming
16-epiestriol 16-
O
-(β-
D
-glucuronide) (
CHEBI:137723
)
has functional parent
16β-hydroxyestradiol (
CHEBI:87620
)
16-epiestriol 3-
O
-(β-
D
-glucuronide) (
CHEBI:137720
)
has functional parent
16β-hydroxyestradiol (
CHEBI:87620
)
IUPAC Names
(16β,17β)-estra-1(10),2,4-triene-3,16,17-triol
estra-1(10),2,4-triene-3,16β,17β-triol
INNs
Sources
epiestriol
ChemIDplus
epiestriolum
ChemIDplus
Synonyms
Sources
16-Epiestriol
HMDB
16β,17β-estriol
HMDB
16β,17β-estriol
UniProt
Actriol
HMDB
Epioestriolum
ChemIDplus
estra-1,3,5(10)-triene-3,16β,17-triol
HMDB
Estra-1,3,5(10)-triene-3,16beta,17beta-triol
ChemIDplus
estra-1,3,5(10)-triene-3,16β,17β-triol
SUBMITTER
Manual Xref
Database
HMDB0000347
HMDB
View more database links
Registry Numbers
Types
Sources
3210437
Reaxys Registry Number
Reaxys
547-81-9
CAS Registry Number
ChemIDplus
Citations
Types
Sources
12865317
PubMed citation
SUBMITTER
9120824
PubMed citation
Europe PMC
9858313
PubMed citation
Europe PMC
Last Modified
10 July 2017