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
Download Molfile XML SDF
Formula C18H24O3
Net Charge 0
Average Mass 288.38140
Monoisotopic Mass 288.173
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
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Registry Numbers Types Sources
2219366 Reaxys Registry Number Reaxys
5976-61-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10077490 PubMed citation Europe PMC
11258977 PubMed citation Europe PMC
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16112522 PubMed citation Europe PMC
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20540524 PubMed citation Europe PMC
20708024 PubMed citation Europe PMC
9554872 PubMed citation Europe PMC
Last Modified
17 July 2017