<?xml version="1.0" encoding="UTF-8"?>
<metabolite>
  <version>1.0</version>
  <creation_date>2016-09-30 22:18:59 UTC</creation_date>
  <update_date>2020-05-21 16:29:01 UTC</update_date>
  <accession>BMDB0000051</accession>
  <secondary_accessions>
    <accession>BMDB00051</accession>
  </secondary_accessions>
  <name>Ammonia</name>
  <description/>
  <synonyms>
    <synonym>[NH3]</synonym>
    <synonym>Ammoniac</synonym>
    <synonym>Ammoniak</synonym>
    <synonym>Amoniaco</synonym>
    <synonym>NH3</synonym>
    <synonym>R-717</synonym>
    <synonym>Spirit OF hartshorn</synonym>
    <synonym>Ammonia anhydrous</synonym>
    <synonym>Ammonia inhalant</synonym>
    <synonym>Ammonia solution strong</synonym>
    <synonym>Ammonia water</synonym>
    <synonym>Liquid ammonia</synonym>
    <synonym>Am-fol</synonym>
    <synonym>Ammonia (CONC 20% or greater)</synonym>
    <synonym>Ammonia gas</synonym>
    <synonym>Ammonia solution</synonym>
    <synonym>Ammonia solution strong (NF)</synonym>
    <synonym>Ammonia water (JP15)</synonym>
    <synonym>Ammoniacum gummi</synonym>
    <synonym>Ammoniak kconzentrierter</synonym>
    <synonym>Ammoniakgas</synonym>
    <synonym>Ammonium ion</synonym>
    <synonym>Anhydrous ammonia</synonym>
    <synonym>Aromatic ammonia vaporole</synonym>
    <synonym>Azane</synonym>
    <synonym>NH(3)</synonym>
    <synonym>Nitro-sil</synonym>
    <synonym>Primaeres amin</synonym>
    <synonym>Sekundaeres amin</synonym>
    <synonym>Tertiaeres amin</synonym>
  </synonyms>
  <chemical_formula>H3N</chemical_formula>
  <average_molecular_weight>17.0305</average_molecular_weight>
  <monisotopic_moleculate_weight>17.026549101</monisotopic_moleculate_weight>
  <iupac_name>ammonia</iupac_name>
  <traditional_iupac>ammonia</traditional_iupac>
  <cas_registry_number>7664-41-7</cas_registry_number>
  <smiles>N</smiles>
  <inchi>InChI=1S/H3N/h1H3</inchi>
  <inchikey>QGZKDVFQNNGYKY-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other non-metals'.</description>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Homogeneous non-metal compounds</super_class>
    <class>Homogeneous other non-metal compounds</class>
    <sub_class/>
    <direct_parent>Homogeneous other non-metal compounds</direct_parent>
    <alternative_parents>
    </alternative_parents>
    <substituents>
      <substituent>Homogeneous other non metal</substituent>
    </substituents>
    <molecular_framework/>
    <external_descriptors>
      <external_descriptor>a small molecule</external_descriptor>
      <external_descriptor>azane</external_descriptor>
      <external_descriptor>mononuclear parent hydride</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <experimental_properties>
    <state>Liquid</state>
    <property>
      <kind>melting_point</kind>
      <value>-77.7 °C</value>
      <source/>
    </property>
    <property>
      <kind>water_solubility</kind>
      <value>482 mg/mL at 24 °C</value>
      <source/>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-0.98</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>8.86</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>ammonia</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>17.0305</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>17.026549101</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>H3N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/H3N/h1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>QGZKDVFQNNGYKY-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>13.59</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>15.51</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>1.99</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>number_of_rings</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>bioavailability</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rule_of_five</kind>
      <value>Yes</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>ghose_filter</kind>
      <value>Yes</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>veber_rule</kind>
      <value>Yes</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mddr_like_rule</kind>
      <value>Yes</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <pathways>
    <pathway>
      <name>Amino Sugar Metabolism</name>
      <smpdb_id>SMP0087175</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Ammonia Recycling</name>
      <smpdb_id>SMP0087177</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Arginine and Proline Metabolism</name>
      <smpdb_id>SMP0087178</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Aspartate Metabolism</name>
      <smpdb_id>SMP0087165</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>beta-Alanine Metabolism</name>
      <smpdb_id>SMP0087180</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Cysteine Metabolism</name>
      <smpdb_id>SMP0087189</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>D-Arginine and D-Ornithine Metabolism</name>
      <smpdb_id>SMP0087190</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Folate Metabolism</name>
      <smpdb_id>SMP0087196</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Glucose-Alanine Cycle</name>
      <smpdb_id>SMP0087221</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Glutamate Metabolism</name>
      <smpdb_id>SMP0087169</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Glycine and Serine Metabolism</name>
      <smpdb_id>SMP0087245</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Histidine Metabolism</name>
      <smpdb_id>SMP0087219</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Homocysteine Degradation</name>
      <smpdb_id>SMP0087201</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Methionine Metabolism</name>
      <smpdb_id>SMP0087249</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Phenylalanine and Tyrosine Metabolism</name>
      <smpdb_id>SMP0087218</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Porphyrin Metabolism</name>
      <smpdb_id>SMP0087243</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Purine Metabolism</name>
      <smpdb_id>SMP0087239</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Pyrimidine Metabolism</name>
      <smpdb_id>SMP0087247</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Selenoamino Acid Metabolism</name>
      <smpdb_id>SMP0087161</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Threonine and 2-Oxobutanoate Degradation</name>
      <smpdb_id>SMP0087262</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Tyrosine Metabolism</name>
      <smpdb_id>SMP0087235</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Urea Cycle</name>
      <smpdb_id>SMP0087224</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Vitamin B6 Metabolism</name>
      <smpdb_id>SMP0087240</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Warburg Effect</name>
      <smpdb_id>SMP0087270</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::EiMs</type>
      <spectrum_id>1861</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>21098</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>21099</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>21100</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>22649</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>22650</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>22651</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2416924</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2416925</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2416926</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2548837</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2548838</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2548839</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>3041</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>137816</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>145550</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsIr</type>
      <spectrum_id>126</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsIr</type>
      <spectrum_id>127</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsIr</type>
      <spectrum_id>128</spectrum_id>
    </spectrum>
  </spectra>
  <normal_concentrations>
    <concentration>
      <biospecimen>All Tissues</biospecimen>
      <concentration_value/>
      <concentration_units/>
      <references>
        <reference>
          <reference_text>Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089.</reference_text>
          <pubmed_id>29140435</pubmed_id>
        </reference>
      </references>
    </concentration>
  </normal_concentrations>
  <kegg_id>C00014</kegg_id>
  <drugbank_id>DBMET01482</drugbank_id>
  <foodb_id>FDB003908</foodb_id>
  <chemspider_id>217</chemspider_id>
  <pubchem_compound_id>222</pubchem_compound_id>
  <pdbe_id/>
  <chebi_id>16134</chebi_id>
  <knapsack_id>C00007267</knapsack_id>
  <wikipedia_id>Ammonia</wikipedia_id>
  <meta_cyc_id>AMMONIA</meta_cyc_id>
  <phenol_explorer_compound_id/>
  <bigg_id/>
  <metlin_id>3189</metlin_id>
  <synthesis_reference>Mohr, Rudolf.  Ammonia separation from offgas obtained from melamine synthesis.    U.S.  (1971),     5 pp.  CODEN: USXXAM  US  3555784  19710119  CAN 77:50902  AN 1972:450902</synthesis_reference>
  <general_references>
  </general_references>
  <protein_associations>
    <protein>
      <protein_accession>BMDBP00088</protein_accession>
      <name>L-serine dehydratase/L-threonine deaminase</name>
      <uniprot_id>Q0VCW4</uniprot_id>
      <gene_name>SDS</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP00095</protein_accession>
      <name>Membrane primary amine oxidase</name>
      <uniprot_id>Q9TTK6</uniprot_id>
      <gene_name>AOC3</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP00110</protein_accession>
      <name>Porphobilinogen deaminase</name>
      <uniprot_id>Q2KIN5</uniprot_id>
      <gene_name>HMBS</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP00214</protein_accession>
      <name>Pyridoxine-5'-phosphate oxidase</name>
      <uniprot_id>Q5E9K3</uniprot_id>
      <gene_name>PNPO</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP00432</protein_accession>
      <name>GMP reductase 2</name>
      <uniprot_id>Q32L93</uniprot_id>
      <gene_name>GMPR2</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP00565</protein_accession>
      <name>Isoaspartyl peptidase/L-asparaginase</name>
      <uniprot_id>Q32LE5</uniprot_id>
      <gene_name>ASRGL1</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP00618</protein_accession>
      <name>D-aspartate oxidase</name>
      <uniprot_id>P31228</uniprot_id>
      <gene_name>DDO</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP00818</protein_accession>
      <name>Cystathionine gamma-lyase</name>
      <uniprot_id>Q58DW2</uniprot_id>
      <gene_name>CTH</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP00839</protein_accession>
      <name>Adenosine deaminase</name>
      <uniprot_id>P56658</uniprot_id>
      <gene_name>ADA</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP00856</protein_accession>
      <name>Glutamate dehydrogenase 1, mitochondrial</name>
      <uniprot_id>P00366</uniprot_id>
      <gene_name>GLUD1</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP00890</protein_accession>
      <name>Amine oxidase [flavin-containing] A</name>
      <uniprot_id>P21398</uniprot_id>
      <gene_name>MAOA</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP01131</protein_accession>
      <name>Histidine ammonia-lyase</name>
      <uniprot_id>A7YWP4</uniprot_id>
      <gene_name>HAL</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP02163</protein_accession>
      <name>Ammonium transporter Rh type A</name>
      <uniprot_id>Q9GKN7</uniprot_id>
      <gene_name>RHAG</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP02164</protein_accession>
      <name>Ammonium transporter Rh type B</name>
      <uniprot_id>Q95M77</uniprot_id>
      <gene_name>RHBG</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP02165</protein_accession>
      <name>Ammonium transporter Rh type C</name>
      <uniprot_id>Q2T9S6</uniprot_id>
      <gene_name>RHCG</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP02425</protein_accession>
      <name>DCTD protein</name>
      <uniprot_id>A6QQC3</uniprot_id>
      <gene_name>DCTD</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP02848</protein_accession>
      <name>Interleukin 4 induced 1</name>
      <uniprot_id>F1N191</uniprot_id>
      <gene_name>IL4I1</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP02853</protein_accession>
      <name>Glutaminase 2</name>
      <uniprot_id>E1BHZ6</uniprot_id>
      <gene_name>GLS2</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP02855</protein_accession>
      <name>Carbamoyl-phosphate synthase 1</name>
      <uniprot_id>F1ML89</uniprot_id>
      <gene_name>CPS1</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP02857</protein_accession>
      <name>GMPS protein</name>
      <uniprot_id>Q2T9U0</uniprot_id>
      <gene_name>GMPS</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP02863</protein_accession>
      <name>Glucosamine-6-phosphate isomerase 1</name>
      <uniprot_id>A4FV08</uniprot_id>
      <gene_name>GNPDA1</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP02873</protein_accession>
      <name>Deaminated glutathione amidase</name>
      <uniprot_id>Q32LH4</uniprot_id>
      <gene_name>NIT1</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP02882</protein_accession>
      <name>Formimidoyltransferase cyclodeaminase</name>
      <uniprot_id>F1MNA6</uniprot_id>
      <gene_name>FTCD</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP02935</protein_accession>
      <name>Guanine deaminase</name>
      <uniprot_id>F1MLX9</uniprot_id>
      <gene_name>GDA</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
    <protein>
      <protein_accession>BMDBP02939</protein_accession>
      <name>Adenosine monophosphate deaminase 3</name>
      <uniprot_id>E1BA23</uniprot_id>
      <gene_name>AMPD3</gene_name>
      <protein_type>Enzyme</protein_type>
    </protein>
  </protein_associations>
</metabolite>
