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> Main
CHEBI:62845 - 4-hydroxy-17β-estradiol
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ChEBI Name
4-hydroxy-17β-estradiol
ChEBI ID
CHEBI:62845
ChEBI ASCII Name
4-hydroxy-17beta-estradiol
Definition
A 4-hydroxy steroid that consists of 17β-estradiol having an additional hydroxy group at position 4.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:34424
Supplier Information
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Formula
C18H24O3
Net Charge
0
Average Mass
288.38140
Monoisotopic Mass
288.17254
InChI
InChI=1S/C18H24O3/c1-
18-
9-
8-
11-
10-
4-
6-
15(19)
17(21)
13(10)
3-
2-
12(11)
14(18)
5-
7-
16(18)
20/h4,6,11-
12,14,16,19-
21H,2-
3,5,7-
9H2,1H3/t11-
,12-
,14+,16+,18+/m1/s1
InChIKey
QOZFCKXEVSGWGS-ZHIYBZGJSA-N
SMILES
[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1c(O)c(O)ccc21
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4-hydroxy-17β-estradiol (
CHEBI:62845
)
has functional parent
17β-estradiol (
CHEBI:16469
)
4-hydroxy-17β-estradiol (
CHEBI:62845
)
has role
metabolite (
CHEBI:25212
)
4-hydroxy-17β-estradiol (
CHEBI:62845
)
is a
4-hydroxy steroid (
CHEBI:62846
)
Incoming
4-hydroxy-17β-estradiol 3-
O
-(β-
D
-glucuronide) (
CHEBI:137911
)
has functional parent
4-hydroxy-17β-estradiol (
CHEBI:62845
)
4-hydroxy-17β-estradiol 4-
O
-(β-
D
-glucuronide) (
CHEBI:137917
)
has functional parent
4-hydroxy-17β-estradiol (
CHEBI:62845
)
IUPAC Name
estra-1,3,5(10)-triene-3,14,17β-triol
Synonyms
Sources
3,4,17beta-estriol
HMDB
3,4,17beta-trihydroxy-1,3,5[10]-estratriene
HMDB
4-hydroxy-17β-estradiol
UniProt
4-hydroxyestradiol
LIPID MAPS
4-Hydroxyestradiol-17beta
KEGG COMPOUND
4-OH-Estradiol
KEGG COMPOUND
4OHE2
HMDB
Manual Xrefs
Databases
C14209
KEGG COMPOUND
HMDB0005896
HMDB
LMST02010028
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
2219366
Reaxys Registry Number
Reaxys
5976-61-4
CAS Registry Number
ChemIDplus
Citations
Types
Sources
10077490
PubMed citation
Europe PMC
11258977
PubMed citation
Europe PMC
11812141
PubMed citation
Europe PMC
11961123
PubMed citation
Europe PMC
12093619
PubMed citation
Europe PMC
12493568
PubMed citation
Europe PMC
16112522
PubMed citation
Europe PMC
17173372
PubMed citation
Europe PMC
18379081
PubMed citation
Europe PMC
20540524
PubMed citation
Europe PMC
20708024
PubMed citation
Europe PMC
9554872
PubMed citation
Europe PMC
Last Modified
17 July 2017