<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>2.0</version>
  <creation_date>2015-06-05 06:29:28 -0600</creation_date>
  <update_date>2015-08-05 16:22:05 -0600</update_date>
  <accession>ECMDB23843</accession>
  <m2m_id>M2MDB005079</m2m_id>
  <name>Methane</name>
  <description>A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. −161°C).</description>
  <synonyms>
    <synonym>Acticarbone</synonym>
    <synonym>Adsorbit</synonym>
    <synonym>Anthrasorb</synonym>
    <synonym>Aquadag</synonym>
    <synonym>Aroflow</synonym>
    <synonym>Arogen</synonym>
    <synonym>Arotone</synonym>
    <synonym>Arovel</synonym>
    <synonym>Arrow</synonym>
    <synonym>Atlantic</synonym>
    <synonym>Biogas</synonym>
    <synonym>Cancarb</synonym>
    <synonym>Canesorb</synonym>
    <synonym>Canlub</synonym>
    <synonym>Carbene</synonym>
    <synonym>Carbodis</synonym>
    <synonym>Carbolac</synonym>
    <synonym>Carbomet</synonym>
    <synonym>Carbone</synonym>
    <synonym>Carbonium</synonym>
    <synonym>Carbono</synonym>
    <synonym>Carbosieve</synonym>
    <synonym>Cecarbon</synonym>
    <synonym>CH4</synonym>
    <synonym>Collocarb</synonym>
    <synonym>Conductex</synonym>
    <synonym>Continex</synonym>
    <synonym>Croflex</synonym>
    <synonym>Crolac</synonym>
    <synonym>Darco</synonym>
    <synonym>Degussa</synonym>
    <synonym>Electrographite</synonym>
    <synonym>Elftex</synonym>
    <synonym>Essex</synonym>
    <synonym>Excelsior</synonym>
    <synonym>Farbruss</synonym>
    <synonym>Fecto</synonym>
    <synonym>Filtrasorb</synonym>
    <synonym>Fire dAMP</synonym>
    <synonym>Flamruss</synonym>
    <synonym>Furnal</synonym>
    <synonym>Furnex</synonym>
    <synonym>Gastex</synonym>
    <synonym>Grafoil</synonym>
    <synonym>Grosafe</synonym>
    <synonym>Huber</synonym>
    <synonym>Humenegro</synonym>
    <synonym>Hydrodarco</synonym>
    <synonym>Kohlenstoff</synonym>
    <synonym>Korobon</synonym>
    <synonym>Kosmink</synonym>
    <synonym>Kosmobil</synonym>
    <synonym>Kosmolak</synonym>
    <synonym>Kosmos</synonym>
    <synonym>Kosmotherm</synonym>
    <synonym>Kosmovar</synonym>
    <synonym>Lampblack</synonym>
    <synonym>Magecol</synonym>
    <synonym>Marsh gas</synonym>
    <synonym>Metanex</synonym>
    <synonym>Metano</synonym>
    <synonym>Methan</synonym>
    <synonym>Methane in gaseus STate</synonym>
    <synonym>Methane in gaseus STic acid</synonym>
    <synonym>Methyl hydride</synonym>
    <synonym>Methylene</synonym>
    <synonym>Methylidyne</synonym>
    <synonym>Micronex</synonym>
    <synonym>Modulex</synonym>
    <synonym>Molacco</synonym>
    <synonym>Neotex</synonym>
    <synonym>Nuchar</synonym>
    <synonym>Papyex</synonym>
    <synonym>Pelletex</synonym>
    <synonym>Philblack</synonym>
    <synonym>Plumbago</synonym>
    <synonym>Printex</synonym>
    <synonym>R 50</synonym>
    <synonym>Rebonex</synonym>
    <synonym>Schungite</synonym>
    <synonym>Sevacarb</synonym>
    <synonym>Shungite</synonym>
    <synonym>Spheron</synonym>
    <synonym>Statex</synonym>
    <synonym>Superba</synonym>
    <synonym>Thermatomic</synonym>
    <synonym>Thermax</synonym>
    <synonym>Thermblack</synonym>
    <synonym>Tinolite</synonym>
    <synonym>Watercarb</synonym>
  </synonyms>
  <chemical_formula>CH4</chemical_formula>
  <average_molecular_weight>16.0425</average_molecular_weight>
  <monisotopic_moleculate_weight>16.031300128</monisotopic_moleculate_weight>
  <iupac_name>methane</iupac_name>
  <traditional_iupac>methane</traditional_iupac>
  <cas_registry_number>74-82-8</cas_registry_number>
  <smiles>C</smiles>
  <inchi>InChI=1S/CH4/h1H4</inchi>
  <inchikey>VNWKTOKETHGBQD-UHFFFAOYSA-N</inchikey>
  <state/>
  <cellular_locations>
  </cellular_locations>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-1.31</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>1.08</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>0.00e+00 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>1.08</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>methane</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>16.0425</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>16.031300128</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>C</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>CH4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/CH4/h1H4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>VNWKTOKETHGBQD-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>6.35</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>2.59</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>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
    <pathway>
      <name>Phosphonate and phosphinate metabolism</name>
      <description/>
      <pathwhiz_id/>
      <kegg_map_id>ec00440</kegg_map_id>
      <subject/>
    </pathway>
    <pathway>
      <name>methylphosphonate degradation I</name>
      <description>The pathway of methylphosphonate degradation starts with methylphosphonate being degrade by an ATP driven methylphosphonate degradation complex resulting in a alpha-D-ribose-1-methylphosphonate-5-triphosphate. This compound in turn is degraded by a water driven RPnTP hydrolase resulting in the release of a hydrogen ion, a pyrophosphate and a alpha-Dribose-1-methylphosphonate 5-phosphate. The latter compound is then involved with a carbon-phosphorous lyase resulting in the release of a methane and a 5-phospho-alpha-D-ribose 1,2-cyclic phosphate. This compound in turn gets degraded by a water driven 5-phospho-alpha-D-ribosyl 1,2-cyclic phosphate phosphodiesterase resulting in the release of a hydrogen ion and a alpha-D-ribose 1,5-biphosphate.</description>
      <pathwhiz_id>PW002065</pathwhiz_id>
      <kegg_map_id/>
      <subject>Metabolic</subject>
    </pathway>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>12522</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>27078</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>99777</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>132138</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>139872</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::EiMs</type>
      <spectrum_id>1126</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>2602</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>128888</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>128889</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>128890</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>128891</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>128892</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>128893</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>128894</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>128895</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>128896</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>128897</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>24449</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>24450</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>24451</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>31007</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>31008</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>31009</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2433304</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2433305</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2433306</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2504873</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2504874</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2504875</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id/>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id>C01438</kegg_id>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <foodb_id/>
  <general_references>
  </general_references>
  <synthesis_reference/>
  <msds_url/>
  <enzymes>
    <enzyme>
      <name>Alpha-D-ribose 1-methylphosphonate 5-phosphate C-P lyase</name>
      <uniprot_id>P16688</uniprot_id>
      <uniprot_name>PHNJ_ECOLI</uniprot_name>
      <gene_name>phnJ</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P16688.xml</protein_url>
    </enzyme>
  </enzymes>
  <transporters>
  </transporters>
  <reactions>
    <reaction_text>alpha-D-Ribose 1-methylphosphonate 5-phosphate &lt;&gt; alpha-D-Ribose 1,2-cyclic phosphate 5-phosphate + Methane</reaction_text>
    <kegg_reaction_id>R10204 </kegg_reaction_id>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>alpha-D-Ribose 1-methylphosphonate 5-phosphate &gt; Methane + alpha-D-Ribose 1,2-cyclic phosphate 5-phosphate</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id>PW_R006037</pw_reaction_id>
    <reaction_text>alpha-D-Ribose 1-methylphosphonate 5-phosphate &lt;&gt; alpha-D-Ribose 1,2-cyclic phosphate 5-phosphate + Methane</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
    <reaction_text>alpha-D-Ribose 1-methylphosphonate 5-phosphate &lt;&gt; alpha-D-Ribose 1,2-cyclic phosphate 5-phosphate + Methane</reaction_text>
    <kegg_reaction_id/>
    <ecocyc_id/>
    <pw_reaction_id/>
  </reactions>
  <concentrations>
  </concentrations>
</compound>
