2-hydroxy-17beta-estradiol (CHEBI:28744)

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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	eMolecules:1976075, ZINC000003815419

Download	Molfile XML SDF

Formula

C18H24O3

Net Charge

Average Mass

288.38136

Monoisotopic Mass

288.17254

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:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
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). 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.

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)

Incoming	2-hydroxy-17β-estradiol 2-O-(β-D-glucuronide) (CHEBI:137907) has functional parent 2-hydroxy-17β-estradiol (CHEBI:28744) 2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137837) has functional parent 2-hydroxy-17β-estradiol (CHEBI:28744) 2-hydroxy-17β-estradiol 3-sulfate (CHEBI:136585) has functional parent 2-hydroxy-17β-estradiol (CHEBI:28744) 2-hydroxy-17β-estradiol 3-sulfate(1−) (CHEBI:133942) has functional parent 2-hydroxy-17β-estradiol (CHEBI:28744)

IUPAC Name

estra-1,3,5(10)-triene-2,3,17β-triol

Citations

Last Modified

17 July 2017