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CHEBI:87605 - 6α-hydroxyestrone
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ChEBI Name
6α-hydroxyestrone
ChEBI ID
CHEBI:87605
ChEBI ASCII Name
6alpha-hydroxyestrone
Definition
A 6α-hydroxy steroid that is estrone substituted by an α-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
286.36550
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-WUAUYOTNSA-N
SMILES
C[C@]12CC[C@H]3[C@@H](C[C@H](O)c4cc(O)ccc34)[C@@H]1CCC2=O
Roles Classification
Biological Role
(s):
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
6α-hydroxyestrone (
CHEBI:87605
)
has functional parent
estrone (
CHEBI:17263
)
6α-hydroxyestrone (
CHEBI:87605
)
has role
human urinary metabolite (
CHEBI:84087
)
6α-hydroxyestrone (
CHEBI:87605
)
is a
17-oxo steroid (
CHEBI:19168
)
6α-hydroxyestrone (
CHEBI:87605
)
is a
3-hydroxy steroid (
CHEBI:36834
)
6α-hydroxyestrone (
CHEBI:87605
)
is a
6α-hydroxy steroid (
CHEBI:36850
)
6α-hydroxyestrone (
CHEBI:87605
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
3,6α-dihydroxyestra-1,3,5(10)-trien-17-one
Synonyms
Sources
(6α)-3,6-dihydroxyestra-1,3,5(10)-trien-17-one
IUPAC
3,6α-dihydroxy-estra-1,3,5(10)-trien-17-one
SUBMITTER
6α-hydroxyestrone
UniProt
Registry Numbers
Types
Sources
1476-78-4
CAS Registry Number
ChemIDplus
5974572
Reaxys Registry Number
Reaxys
Citations
Types
Sources
12865317
PubMed citation
SUBMITTER
14238849
PubMed citation
Europe PMC
6362088
PubMed citation
Europe PMC
Last Modified
24 August 2015