Human Metabolome Database Version 3.5

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Showing metabocard for Bromide (HMDB02500)

enzymes (19)

Blood
Urine

Record Information

Version

3.5

Creation Date

2006-05-22 08:17:55 -0600

Update Date

2013-05-29 13:36:30 -0600

HMDB ID

HMDB02500

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Bromide

Description

Bromine is a brown or red liquid with a characteristic odor. Bromine is mainly used in the manufacture of dyes, inks, flame retardants, pharmaceuticals and chemical warfare agents. Occupational exposure to bromine may occur during the production and the application of bromine compounds and during other industrial activities. This compound is adsorbed into the human body through the respiratory tract, skin (occupational exposure) and alimentary tract (general population). Physiologically, bromine exists as an ion in the body. Slight eye irritation occurs as a consequence of chronic exposure to bromine vapors at concentration of 1 mg/m3. Higher concentrations increase this effect and cause nasal and skin irritation. Many years' observations have shown that during occupational exposure to bromine vapors at concentrations of up to 0.7 mg/m3 (0.1 ppm), there are no observed adverse effects. From cytotoxicity and mutagenicity assays, it is known that brominated organic compounds are more toxic than chlorinated organic compounds. However, only a limited number of brominated organic compounds have been regulated. (PMID: 17316744 Link_out

Structure

Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure

Synonyms

Bromide ion
Bromine ion

Chemical Formula

Average Molecular Weight

79.904

Monoisotopic Molecular Weight

78.918337647

IUPAC Name

bromide

Traditional IUPAC Name

bromide

CAS Registry Number

7726-95-6

SMILES

[Br-]

InChI Identifier

InChI=1S/BrH/h1H/p-1

InChI Key

CPELXLSAUQHCOX-UHFFFAOYSA-M

Chemical Taxonomy

Kingdom

Inorganic Compounds

Super Class

Homogeneous Non-metal Compounds

Class

Homogeneous Halogens

Sub Class

N/A

Other Descriptors

an anion(Cyc)
halide anion(ChEBI)
monoatomic bromine(ChEBI)

Substituents

Direct Parent

Homogeneous Halogens

Ontology

Status

Detected and Quantified

Origin

Toxin/Pollutant

Biofunction

Essential minerals

Application

Not Available

Cellular locations

Not Available

Physical Properties

State

Liquid

Experimental Properties

Property	Value	Reference
Melting Point	-7.25 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	35 mg/mL at 20 °C	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
Water Solubility		ALOGPS
LogP	0.8	ChemAxon
pKa (strongest acidic)	-8	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 A²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	8.6	ChemAxon
Polarizability	3.36	ChemAxon
Formal Charge	-1	ChemAxon
Physiological Charge	-1	ChemAxon

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biofluid Locations

Blood
Cerebrospinal Fluid (CSF)
Urine

Tissue Location

Not Available

Pathways

Not Available

Normal Concentrations

Biofluid	Status	Value	Age	Sex	Condition	Reference
Blood	Detected and Quantified	43.3 (33.0-67.2) uM	Adult (>18 years old)	Male	Normal	Geigy Scient...
Blood	Detected and Quantified	50.6 (32.9-73.8) uM	Adult (>18 years old)	Female	Normal	Geigy Scient...
Blood	Detected and Quantified	64.3 (42.8-93.2) uM	Adult (>18 years old)	Female	Normal	Geigy Scient...
Blood	Detected and Quantified	50.0 +/- 12.0 uM	Adult (>18 years old)	Both	Normal	8320326
Cerebrospinal Fluid (CSF)	Detected and Quantified	29.0 (18.0-48.0) uM	Adult (>18 years old)	Both	Normal	Geigy Scient...
Urine	Detected and Quantified	3.03 +/- 1.32 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	Geigy Scient...
Urine	Detected and Quantified	5.40 (2.44 - 7.03) umol/mmol creatinine	Adult (>18 years old)	Both	Normal	Geigy Scient...

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

DrugBank Metabolite ID

Not Available

Phenol Explorer Compound ID

Not Available

Phenol Explorer Metabolite ID

Not Available

FoodDB ID

FDB023017

KNApSAcK ID

Not Available

Chemspider ID

254

KEGG Compound ID

C01324

BioCyc ID

BR-

BiGG ID

Not Available

Wikipedia Link

Bromine

NuGOwiki Link

HMDB02500

Metagene Link

HMDB02500

METLIN ID

Not Available

PubChem Compound

259

PDB ID

ChEBI ID

15858

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Baker DH: Iodine toxicity and its amelioration. Exp Biol Med (Maywood). 2004 Jun;229(6):473-8. Pubmed: 15169965
Pavelka S: Metabolism of bromide and its interference with the metabolism of iodine. Physiol Res. 2004;53 Suppl 1:S81-90. Pubmed: 15119938
Brede C, Pedersen-Bjergaard S: State-of-the art of selective detection and identification of I-, Br-, Cl-, and F-containing compounds in gas chromatography and liquid chromatography. J Chromatogr A. 2004 Sep 24;1050(1):45-62. Pubmed: 15503925
Cuenca RE, Pories WJ, Bray J: Bromine levels in human serum, urine, hair. Short communication. Biol Trace Elem Res. 1988 Jul;16(2):151-4. Pubmed: 2484543
Kim HS, Yamada H, Tsuno H: The removal of estrogenic activity and control of brominated by-products during ozonation of secondary effluents. Water Res. 2007 Apr;41(7):1441-6. Epub 2007 Feb 20. Pubmed: 17316744

Enzymes

Name:

Glutathione S-transferase Mu 2

Reactions:

1,2-Dibromoethane + Glutathione + Hydrogen Ion unknown Glutathione episulfonium ion + Bromide	details
2-Bromoacetaldehyde + Glutathione unknown S-(Formylmethyl)glutathione + Bromide	details

Gene Name:

GSTM2

Uniprot ID:

P28161

Protein Sequence: