4-bromophenol (CHEBI:47248)

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ChEBI Name	4-bromophenol

ChEBI ID	CHEBI:47248

Definition	A bromophenol containing only hydroxy and bromo substituents that are para to one another.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:34389

Supplier Information

Download	Molfile XML SDF

Formula

C6H5BrO

Net Charge

Average Mass

173.007

Monoisotopic Mass

171.95238

InChI

InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H

InChIKey

GZFGOTFRPZRKDS-UHFFFAOYSA-N

SMILES

C=1C=C(C=CC1O)Br

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Rattus norvegicus (NCBI:txid10116)	See: PubMed
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: PubMed
Neosiphonia sp.aerocarpa (WORMS:146348)	See: PubMed

Roles Classification
Chemical Role(s):	persistent organic pollutant Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains.

Biological Role(s):	human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.

ChEBI Ontology
Outgoing	4-bromophenol (CHEBI:47248) has role human urinary metabolite (CHEBI:84087) 4-bromophenol (CHEBI:47248) has role human xenobiotic metabolite (CHEBI:76967) 4-bromophenol (CHEBI:47248) has role marine metabolite (CHEBI:76507) 4-bromophenol (CHEBI:47248) has role mouse metabolite (CHEBI:75771) 4-bromophenol (CHEBI:47248) has role persistent organic pollutant (CHEBI:77853) 4-bromophenol (CHEBI:47248) has role rat metabolite (CHEBI:86264) 4-bromophenol (CHEBI:47248) is a bromophenol (CHEBI:33624)

Last Modified

22 February 2018

General Comment
2016-11-28	See also http://dx.doi.org/10.1016/j.tet.2012.08.081