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> Main
CHEBI:87626 - 6β-hydroxyestrone
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ChEBI Ontology
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ChEBI Name
6β-hydroxyestrone
ChEBI ID
CHEBI:87626
ChEBI ASCII Name
6beta-hydroxyestrone
Definition
A 3-hydroxy steroid that is estrone substituted by a β-hydroxy group at position 6.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Nevila Nouspikel
Supplier Information
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Formula
C18H22O3
Net Charge
0
Average Mass
286.366
Monoisotopic Mass
286.15689
InChI
InChI=1S/C18H22O3/c1-
18-
7-
6-
12-
11-
3-
2-
10(19)
8-
14(11)
16(20)
9-
13(12)
15(18)
4-
5-
17(18)
21/h2-
3,8,12-
13,15-
16,19-
20H,4-
7,9H2,1H3/t12-
,13-
,15+,16-
,18+/m1/s1
InChIKey
HTORTGVWUGQTHQ-UHOVARLQSA-N
SMILES
C1[C@]2([C@]3([C@@](C4=C(C=C(O)C=C4)[C@@H](C3)O)(CC[C@@]2(C(=O)C1)C)[H])[H])[H]
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
See:
PubMed
Roles Classification
Biological Role
(s):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
6β-hydroxyestrone (
CHEBI:87626
)
has functional parent
estrone (
CHEBI:17263
)
6β-hydroxyestrone (
CHEBI:87626
)
has parent hydride
estrane (
CHEBI:23966
)
6β-hydroxyestrone (
CHEBI:87626
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
6β-hydroxyestrone (
CHEBI:87626
)
has role
mouse metabolite (
CHEBI:75771
)
6β-hydroxyestrone (
CHEBI:87626
)
is a
17-oxo steroid (
CHEBI:19168
)
6β-hydroxyestrone (
CHEBI:87626
)
is a
3-hydroxy steroid (
CHEBI:36834
)
6β-hydroxyestrone (
CHEBI:87626
)
is a
6β-hydroxy steroid (
CHEBI:36851
)
6β-hydroxyestrone (
CHEBI:87626
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
3,6β-dihydroxy-estra-1,3,5(10)-trien-17-one
Synonyms
Sources
(6β)-3,6-dihydroxyestra-1,3,5(10)-trien-17-one
IUPAC
6β-hydroxyestrone
UniProt
Registry Number
Type
Source
6904811
Reaxys Registry Number
Reaxys
Citations
Types
Sources
12865317
PubMed citation
SUBMITTER
1606050
PubMed citation
Europe PMC
9192820
PubMed citation
Europe PMC
Last Modified
04 September 2015