<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>2.0</version>
  <creation_date>2012-07-30 14:55:27 -0600</creation_date>
  <update_date>2015-06-03 17:21:13 -0600</update_date>
  <accession>ECMDB21359</accession>
  <m2m_id>M2MDB001756</m2m_id>
  <name>Sulfur dioxide</name>
  <description>Sulfur dioxide is the chemical compound with the formula SO2. It is a toxic gas with a pungent, irritating smell. Further oxidation of SO2, usually in the presence of a catalyst such as NO2, forms sulfuric acid (H2SO4), and thus acid rain. Sulfur dioxide is an important compound in winemaking, where it serves as an antibiotic and antioxidant, protecting wine from spoilage by bacteria and oxidation. Its antimicrobial action also helps to minimize volatile acidity. (Wikipedia)</description>
  <synonyms>
    <synonym>Dioxidosulfur</synonym>
    <synonym>Dioxidosulphur</synonym>
    <synonym>Fermenicide liquid</synonym>
    <synonym>Fermenicide powder</synonym>
    <synonym>Fermenticide liquid</synonym>
    <synonym>Oxosulfane oxide</synonym>
    <synonym>Oxosulphane oxide</synonym>
    <synonym>Schwefel(4)-oxid</synonym>
    <synonym>Schwefeldioxid</synonym>
    <synonym>Schwefeldioxyd</synonym>
    <synonym>Siarki dwutlenek</synonym>
    <synonym>SO2</synonym>
    <synonym>Sulfur dioxide</synonym>
    <synonym>Sulfur dioxide (NF)</synonym>
    <synonym>Sulfur dioxide (SO2)</synonym>
    <synonym>Sulfur oxide</synonym>
    <synonym>Sulfur oxide (SO2)</synonym>
    <synonym>Sulfur superoxide</synonym>
    <synonym>Sulfurous acid anhydride</synonym>
    <synonym>Sulfurous anhydride</synonym>
    <synonym>Sulfurous oxide</synonym>
    <synonym>Sulphur dioxide</synonym>
    <synonym>Sulphur dioxide (NF)</synonym>
    <synonym>Sulphur dioxide (SO2)</synonym>
    <synonym>Sulphur oxide</synonym>
    <synonym>Sulphur oxide (SO2)</synonym>
    <synonym>Sulphur superoxide</synonym>
    <synonym>Sulphurous acid anhydride</synonym>
    <synonym>Sulphurous anhydride</synonym>
    <synonym>Sulphurous oxide</synonym>
    <synonym>[SO2]</synonym>
  </synonyms>
  <chemical_formula>O2S</chemical_formula>
  <average_molecular_weight>64.064</average_molecular_weight>
  <monisotopic_moleculate_weight>63.961899934</monisotopic_moleculate_weight>
  <iupac_name>(oxo-λ⁴-sulfanylidene)oxidane</iupac_name>
  <traditional_iupac>sulfur dioxide</traditional_iupac>
  <cas_registry_number>7446-09-5</cas_registry_number>
  <smiles>O=S=O</smiles>
  <inchi>InChI=1S/O2S/c1-3-2</inchi>
  <inchikey>RAHZWNYVWXNFOC-UHFFFAOYSA-N</inchikey>
  <state>Gas</state>
  <cellular_locations>
    <cellular_location>Cytosol</cellular_location>
    <cellular_location>Extra-organism</cellular_location>
    <cellular_location>Periplasm</cellular_location>
  </cellular_locations>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>-72 oC (BP = -10oC)</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>0.32</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>(oxo-λ⁴-sulfanylidene)oxidane</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>64.064</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>63.961899934</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>O=S=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>O2S</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/O2S/c1-3-2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>RAHZWNYVWXNFOC-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>34.14</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>8.64</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>4.25</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>3391</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>173260</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>27773</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>27774</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>27775</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>34331</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>34332</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>34333</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2666350</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2666351</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2666352</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id></hmdb_id>
  <pubchem_compound_id>1119</pubchem_compound_id>
  <chemspider_id>1087</chemspider_id>
  <kegg_id>C09306</kegg_id>
  <chebi_id>18422</chebi_id>
  <biocyc_id>SULFUR-DIOXIDE</biocyc_id>
  <het_id>SO2</het_id>
  <wikipidia>Sulfur_dioxide</wikipidia>
  <foodb_id></foodb_id>
  <general_references>
  </general_references>
  <synthesis_reference></synthesis_reference>
  <msds_url/>
  <enzymes>
    <enzyme>
      <name>Cysteine sulfinate desulfinase</name>
      <uniprot_id>Q46925</uniprot_id>
      <uniprot_name>CSDA_ECOLI</uniprot_name>
      <gene_name>csdA</gene_name>
      <protein_url>http://ecmdb.ca/proteins/Q46925.xml</protein_url>
    </enzyme>
  </enzymes>
  <transporters>
    <enzyme>
      <name>Outer membrane protein N</name>
      <uniprot_id>P77747</uniprot_id>
      <uniprot_name>OMPN_ECOLI</uniprot_name>
      <gene_name>ompN</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P77747.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Outer membrane pore protein E</name>
      <uniprot_id>P02932</uniprot_id>
      <uniprot_name>PHOE_ECOLI</uniprot_name>
      <gene_name>phoE</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P02932.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Outer membrane protein F</name>
      <uniprot_id>P02931</uniprot_id>
      <uniprot_name>OMPF_ECOLI</uniprot_name>
      <gene_name>ompF</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P02931.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Outer membrane protein C</name>
      <uniprot_id>P06996</uniprot_id>
      <uniprot_name>OMPC_ECOLI</uniprot_name>
      <gene_name>ompC</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P06996.xml</protein_url>
    </enzyme>
  </transporters>
  <reactions>
    <reaction_text>3-Sulfinoalanine + 2 Hydrogen ion &gt; L-Alanine + Sulfur dioxide</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
  </reactions>
  <concentrations>
  </concentrations>
</compound>
