CHEBI:28744 - 2-hydroxy-17β-estradiol

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ChEBI Name 2-hydroxy-17β-estradiol
ChEBI ID CHEBI:28744
ChEBI ASCII Name 2-hydroxy-17beta-estradiol
Definition A 2-hydroxy steroid that consists of 17β-estradiol having an additional hydroxy group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:42267, CHEBI:1155, CHEBI:19637
Supplier Information
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Formula C18H24O3
Net Charge 0
Average Mass 288.38136
InChI InChI=1S/C18H24O3/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/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1
InChIKey DILDHNKDVHLEQB-XSSYPUMDSA-N
SMILES [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)c(O)cc21
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
Application(s): prodrug
A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-hydroxy-17β-estradiol (CHEBI:28744) has functional parent 17β-estradiol (CHEBI:16469)
2-hydroxy-17β-estradiol (CHEBI:28744) has role carcinogenic agent (CHEBI:50903)
2-hydroxy-17β-estradiol (CHEBI:28744) has role human metabolite (CHEBI:77746)
2-hydroxy-17β-estradiol (CHEBI:28744) has role metabolite (CHEBI:25212)
2-hydroxy-17β-estradiol (CHEBI:28744) has role mouse metabolite (CHEBI:75771)
2-hydroxy-17β-estradiol (CHEBI:28744) has role prodrug (CHEBI:50266)
2-hydroxy-17β-estradiol (CHEBI:28744) is a 17β-hydroxy steroid (CHEBI:35343)
2-hydroxy-17β-estradiol (CHEBI:28744) is a 2-hydroxy steroid (CHEBI:36857)
IUPAC Name
estra-1,3,5(10)-triene-2,3,17β-triol
Synonyms Sources
(17β)-estra-1,3,5(10)-triene-2,3,17-triol ChemIDplus
2-hydroxy-17β-estradiol UniProt
2-Hydroxyestradiol-17beta KEGG COMPOUND
2-Hydroxyestradiol-17beta KEGG COMPOUND
2-OH-E2 ChemIDplus
2-OH-Estradiol KEGG COMPOUND
2-OH-estradiol ChemIDplus
Database Links Databases
C05301 KEGG COMPOUND
DB07706 DrugBank
LMST02010027 LIPID MAPS
View more database links
Registry Numbers Types Sources
2219367 Beilstein Registry Number ChemIDplus
2219367 Reaxys Registry Number Reaxys
362-05-0 CAS Registry Number KEGG COMPOUND
362-05-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11812141 PubMed citation CiteXplore
14563383 PubMed citation CiteXplore
14872091 PubMed citation CiteXplore
15662657 PubMed citation CiteXplore
16404153 PubMed citation CiteXplore
16421288 PubMed citation CiteXplore
16788039 PubMed citation CiteXplore
Last Modified
27 January 2016