<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2011-09-21 00:23:19 UTC</creation_date>
  <update_date>2018-05-28 18:34:52 UTC</update_date>
  <accession>FDB023017</accession>
  <name>Bromide</name>
  <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) [HMDB]</description>
  <synonyms>
    <synonym>Br-</synonym>
    <synonym>Br(-)</synonym>
    <synonym>Bromide anion</synonym>
    <synonym>Bromide ion</synonym>
    <synonym>Bromine anion</synonym>
    <synonym>Bromine ion</synonym>
  </synonyms>
  <chemical_formula>Br</chemical_formula>
  <average_molecular_weight>79.904</average_molecular_weight>
  <monisotopic_moleculate_weight>78.918337647</monisotopic_moleculate_weight>
  <iupac_name>bromide</iupac_name>
  <traditional_iupac>bromide</traditional_iupac>
  <cas_registry_number>7726-95-6</cas_registry_number>
  <smiles>[Br-]</smiles>
  <inchi>InChI=1S/BrH/h1H/p-1</inchi>
  <inchikey>CPELXLSAUQHCOX-UHFFFAOYSA-M</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas.</description>
    <direct_parent>Homogeneous halogens</direct_parent>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Homogeneous non-metal compounds</super_class>
    <class>Homogeneous halogens</class>
    <sub_class/>
    <molecular_framework/>
    <alternative_parents>
    </alternative_parents>
    <substituents>
      <substituent>Homogeneous halogen</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>an anion</external_descriptor>
      <external_descriptor>halide anion</external_descriptor>
      <external_descriptor>monoatomic bromine</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state>Liquid</state>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>0.8</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>-8</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>bromide</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>79.904</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>78.918337647</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[Br-]</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>Br</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/BrH/h1H/p-1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>CPELXLSAUQHCOX-UHFFFAOYSA-M</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>8.6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>3.36</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>-1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>-1</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::EiMs</type>
      <spectrum_id>1961</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>80937</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>80938</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>80939</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>141924</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>141925</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>141926</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3057431</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3057432</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3057433</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB02500</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id>15858</chebi_id>
  <biocyc_id/>
  <het_id>BR</het_id>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
    <reference>#&lt;Reference:0x000055ce3225b4e8&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3225b330&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3225b150&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3225af98&gt;</reference>
    <reference>#&lt;Reference:0x000055ce3225ade0&gt;</reference>
  </general_references>
  <foods>
    <food>
      <name>Anatidae</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Anatidae</name_scientific>
      <ncbi_taxonomy_id>8830</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Beefalo</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Bos taurus X Bison bison</name_scientific>
      <ncbi_taxonomy_id>297284</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Bison</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Bison bison</name_scientific>
      <ncbi_taxonomy_id>9901</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Buffalo</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Bubalus bubalis</name_scientific>
      <ncbi_taxonomy_id>89462</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Cattle (Beef, Veal)</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Bos taurus</name_scientific>
      <ncbi_taxonomy_id>9913</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Chicken</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Gallus gallus</name_scientific>
      <ncbi_taxonomy_id>9031</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Columbidae (Dove, Pigeon)</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Columbidae</name_scientific>
      <ncbi_taxonomy_id>8930</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Deer</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Cervidae</name_scientific>
      <ncbi_taxonomy_id>9850</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Domestic goat</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Capra aegagrus hircus</name_scientific>
      <ncbi_taxonomy_id>9925</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Domestic pig</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Sus scrofa domestica</name_scientific>
      <ncbi_taxonomy_id>9825</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Elk</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Cervus canadensis</name_scientific>
      <ncbi_taxonomy_id>1574408</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Emu</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Dromaius novaehollandiae</name_scientific>
      <ncbi_taxonomy_id>8790</ncbi_taxonomy_id>
    </food>
    <food>
      <name>European rabbit</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Oryctolagus</name_scientific>
      <ncbi_taxonomy_id>9984</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Greylag goose</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Anser anser</name_scientific>
      <ncbi_taxonomy_id>8843</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Guinea hen</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Numida meleagris</name_scientific>
      <ncbi_taxonomy_id>8996</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Horse</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Equus caballus</name_scientific>
      <ncbi_taxonomy_id>9796</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Mallard duck</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Anas platyrhynchos</name_scientific>
      <ncbi_taxonomy_id>8839</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Mountain hare</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Lepus timidus</name_scientific>
      <ncbi_taxonomy_id>62621</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Mule deer</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Odocoileus</name_scientific>
      <ncbi_taxonomy_id>9871</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Ostrich</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Struthio camelus</name_scientific>
      <ncbi_taxonomy_id>8801</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Pheasant</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Phasianus colchicus</name_scientific>
      <ncbi_taxonomy_id>9054</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Quail</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Phasianidae</name_scientific>
      <ncbi_taxonomy_id>9005</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Rabbit</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Leporidae</name_scientific>
      <ncbi_taxonomy_id>9979</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Rock ptarmigan</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Lagopus muta</name_scientific>
      <ncbi_taxonomy_id>64668</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Sheep (Mutton, Lamb)</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Ovis aries</name_scientific>
      <ncbi_taxonomy_id>9940</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Squab</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Columba</name_scientific>
      <ncbi_taxonomy_id>8931</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Turkey</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Meleagris gallopavo</name_scientific>
      <ncbi_taxonomy_id>9103</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Velvet duck</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Melanitta fusca</name_scientific>
      <ncbi_taxonomy_id>371864</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Wild boar</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Sus scrofa</name_scientific>
      <ncbi_taxonomy_id>9823</ncbi_taxonomy_id>
    </food>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
    <enzyme>
      <name>Glutathione S-transferase A1</name>
      <uniprot_id>P08263</uniprot_id>
      <uniprot_name/>
      <gene_name>GSTA1</gene_name>
    </enzyme>
    <enzyme>
      <name>Glutathione S-transferase A2</name>
      <uniprot_id>P09210</uniprot_id>
      <uniprot_name/>
      <gene_name>GSTA2</gene_name>
    </enzyme>
    <enzyme>
      <name>Glutathione S-transferase A3</name>
      <uniprot_id>Q16772</uniprot_id>
      <uniprot_name/>
      <gene_name>GSTA3</gene_name>
    </enzyme>
    <enzyme>
      <name>Glutathione S-transferase A4</name>
      <uniprot_id>O15217</uniprot_id>
      <uniprot_name/>
      <gene_name>GSTA4</gene_name>
    </enzyme>
    <enzyme>
      <name>Glutathione S-transferase A5</name>
      <uniprot_id>Q7RTV2</uniprot_id>
      <uniprot_name/>
      <gene_name>GSTA5</gene_name>
    </enzyme>
    <enzyme>
      <name>Glutathione S-transferase kappa 1</name>
      <uniprot_id>Q9Y2Q3</uniprot_id>
      <uniprot_name/>
      <gene_name>GSTK1</gene_name>
    </enzyme>
    <enzyme>
      <name>Glutathione S-transferase Mu 1</name>
      <uniprot_id>P09488</uniprot_id>
      <uniprot_name/>
      <gene_name>GSTM1</gene_name>
    </enzyme>
    <enzyme>
      <name>Glutathione S-transferase Mu 2</name>
      <uniprot_id>P28161</uniprot_id>
      <uniprot_name/>
      <gene_name>GSTM2</gene_name>
    </enzyme>
    <enzyme>
      <name>Glutathione S-transferase Mu 3</name>
      <uniprot_id>P21266</uniprot_id>
      <uniprot_name/>
      <gene_name>GSTM3</gene_name>
    </enzyme>
    <enzyme>
      <name>Glutathione S-transferase Mu 4</name>
      <uniprot_id>Q03013</uniprot_id>
      <uniprot_name/>
      <gene_name>GSTM4</gene_name>
    </enzyme>
    <enzyme>
      <name>Glutathione S-transferase Mu 5</name>
      <uniprot_id>P46439</uniprot_id>
      <uniprot_name/>
      <gene_name>GSTM5</gene_name>
    </enzyme>
    <enzyme>
      <name>Glutathione S-transferase omega-1</name>
      <uniprot_id>P78417</uniprot_id>
      <uniprot_name/>
      <gene_name>GSTO1</gene_name>
    </enzyme>
    <enzyme>
      <name>Glutathione S-transferase omega-2</name>
      <uniprot_id>Q9H4Y5</uniprot_id>
      <uniprot_name/>
      <gene_name>GSTO2</gene_name>
    </enzyme>
    <enzyme>
      <name>Glutathione S-transferase P</name>
      <uniprot_id>P09211</uniprot_id>
      <uniprot_name/>
      <gene_name>GSTP1</gene_name>
    </enzyme>
    <enzyme>
      <name>Microsomal glutathione S-transferase 1</name>
      <uniprot_id>P10620</uniprot_id>
      <uniprot_name/>
      <gene_name>MGST1</gene_name>
    </enzyme>
    <enzyme>
      <name>Microsomal glutathione S-transferase 2</name>
      <uniprot_id>Q99735</uniprot_id>
      <uniprot_name/>
      <gene_name>MGST2</gene_name>
    </enzyme>
    <enzyme>
      <name>Microsomal glutathione S-transferase 3</name>
      <uniprot_id>O14880</uniprot_id>
      <uniprot_name/>
      <gene_name>MGST3</gene_name>
    </enzyme>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
