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ChEBI
> Main
CHEBI:1156 - 2-hydroxyestrone
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ChEBI Ontology
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ChEBI Name
2-hydroxyestrone
ChEBI ID
CHEBI:1156
Definition
A 2-hydroxy steroid that is estrone substituted by a hydroxy group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H22O3
Net Charge
0
Average Mass
286.36548
Monoisotopic Mass
286.15689
InChI
InChI=1S/C18H22O3/c1-
18-
7-
6-
11-
12(14(18)
4-
5-
17(18)
21)
3-
2-
10-
8-
15(19)
16(20)
9-
13(10)
11/h8-
9,11-
12,14,19-
20H,2-
7H2,1H3/t11-
,12+,14-
,18-
/m0/s1
InChIKey
SWINWPBPEKHUOD-JPVZDGGYSA-N
SMILES
[H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)c(O)cc21
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-hydroxyestrone (
CHEBI:1156
)
has functional parent
estrone (
CHEBI:17263
)
2-hydroxyestrone (
CHEBI:1156
)
has role
human metabolite (
CHEBI:77746
)
2-hydroxyestrone (
CHEBI:1156
)
is a
2-hydroxy steroid (
CHEBI:36857
)
2-hydroxyestrone (
CHEBI:1156
)
is a
catechols (
CHEBI:33566
)
Incoming
2-hydroxy-3-
O
-methyl estrone (
CHEBI:136980
)
has functional parent
2-hydroxyestrone (
CHEBI:1156
)
2-hydroxyestrone 2-
O
-(β-
D
-glucuronide) (
CHEBI:137957
)
has functional parent
2-hydroxyestrone (
CHEBI:1156
)
2-hydroxyestrone 3-
O
-(β-
D
-glucuronide) (
CHEBI:137924
)
has functional parent
2-hydroxyestrone (
CHEBI:1156
)
estra-1(10),4-diene-2,3,17-trione (
CHEBI:87262
)
has functional parent
2-hydroxyestrone (
CHEBI:1156
)
IUPAC Name
2,3-dihydroxyestra-1,3,5(10)-trien-17-one
Synonyms
Sources
2-hydroxyestrone
UniProt
2-Hydroxyestrone
KEGG COMPOUND
Manual Xrefs
Databases
C05298
KEGG COMPOUND
HMDB0000343
HMDB
LMST02010032
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
2221833
Reaxys Registry Number
Reaxys
362-06-1
CAS Registry Number
KEGG COMPOUND
362-06-1
CAS Registry Number
ChemIDplus
Citations
Types
Sources
11054642
PubMed citation
Europe PMC
29713726
PubMed citation
Europe PMC
8337235
PubMed citation
Europe PMC
Last Modified
08 October 2018