<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>2.0</version>
  <creation_date>2012-10-10 12:13:56 -0600</creation_date>
  <update_date>2015-06-03 17:25:48 -0600</update_date>
  <accession>ECMDB23046</accession>
  <m2m_id>M2MDB003436</m2m_id>
  <name>N-Acetyl-5-glutamyl phosphate</name>
  <description>N-Acetyl-5-glutamyl phosphate is an intermediate in arginine biosynthesis.  It is a substrate for the enzyme N-acetyl-gamma-glutamyl-phosphate reductase which catalyzes the reaction N-acetyl-L-glutamate 5-semialdehyde + NADP+ + phosphate = N-acetyl-5-glutamyl phosphate + NADPH</description>
  <synonyms>
    <synonym>(2S)-2-acetamido-5-oxo-5-(phosphonooxy)pentanoate</synonym>
    <synonym>(2S)-2-acetamido-5-oxo-5-(phosphonooxy)pentanoic acid</synonym>
    <synonym>2-acetamido-5-oxo-5-Phosphonooxypentanoate</synonym>
    <synonym>2-acetamido-5-oxo-5-phosphonooxypentanoic acid</synonym>
    <synonym>&lt;i&gt;N&lt;/i&gt;-acetyl-5-glutamyl phosphate</synonym>
    <synonym>&lt;i&gt;N&lt;/i&gt;-acetyl-glutamyl-P</synonym>
    <synonym>&lt;i&gt;N&lt;/i&gt;-acetyl-L-glutamate-5-phosphate</synonym>
    <synonym>&lt;i&gt;N&lt;/i&gt;-acetylglutamyl-P</synonym>
    <synonym>N-Acetyl-5-glutamyl phosphoric acid</synonym>
    <synonym>n-Acetyl-5-glutamyl phosphoric acid</synonym>
    <synonym>N-acetyl-5-oxo-5-(phosphonooxy)-L-norvaline</synonym>
    <synonym>N-Acetyl-g-L-glutamyl phosphate</synonym>
    <synonym>N-Acetyl-g-L-glutamyl phosphoric acid</synonym>
    <synonym>N-acetyl-gamma-l-glutamyl phosphate</synonym>
    <synonym>N-Acetyl-gamma-L-glutamyl phosphoric acid</synonym>
    <synonym>n-Acetyl-glutamyl-P</synonym>
    <synonym>N-acetyl-L-glutamate 5-phosphate</synonym>
    <synonym>n-Acetyl-L-glutamate-5-phosphate</synonym>
    <synonym>N-Acetyl-L-glutamic acid 5-phosphoric acid</synonym>
    <synonym>n-Acetyl-L-glutamic acid-5-phosphoric acid</synonym>
    <synonym>N-Acetyl-L-glutamyl 5-phosphate</synonym>
    <synonym>N-Acetyl-L-glutamyl 5-phosphoric acid</synonym>
    <synonym>N-Acetyl-γ-L-glutamyl phosphate</synonym>
    <synonym>N-Acetyl-γ-L-glutamyl phosphoric acid</synonym>
    <synonym>n-Acetylglutamyl-P</synonym>
  </synonyms>
  <chemical_formula>C7H12NO8P</chemical_formula>
  <average_molecular_weight>269.1458</average_molecular_weight>
  <monisotopic_moleculate_weight>269.030052877</monisotopic_moleculate_weight>
  <iupac_name>2-[(1-hydroxyethylidene)amino]-5-oxo-5-(phosphonooxy)pentanoic acid</iupac_name>
  <traditional_iupac>2-[(1-hydroxyethylidene)amino]-5-oxo-5-(phosphonooxy)pentanoic acid</traditional_iupac>
  <cas_registry_number>15383-57-0</cas_registry_number>
  <smiles>CC(O)=NC(CCC(=O)OP(O)(O)=O)C(O)=O</smiles>
  <inchi>InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)</inchi>
  <inchikey>FCVIHFVSXHOPSW-UHFFFAOYSA-N</inchikey>
  <state>Solid</state>
  <cellular_locations>
    <cellular_location>Mitochondria</cellular_location>
  </cellular_locations>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-2.08</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-1.72</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>5.15e+00 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-1.4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>1.44</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>0.81</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>2-[(1-hydroxyethylidene)amino]-5-oxo-5-(phosphonooxy)pentanoic acid</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>269.1458</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>269.030052877</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>CC(O)=NC(CCC(=O)OP(O)(O)=O)C(O)=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C7H12NO8P</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>FCVIHFVSXHOPSW-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>153.72</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>52.41</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>22.14</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>7</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>8</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>-3</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>1085244</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>316081</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>316082</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>316083</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>316084</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>316085</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>316086</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>316087</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>316088</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>316089</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>316090</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>316091</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>316092</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>316093</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>316094</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>316095</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>316096</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>316097</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>316098</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>316099</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>316100</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>27044</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>27045</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>27046</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>33602</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>33603</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>33604</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB06456</hmdb_id>
  <pubchem_compound_id>440236</pubchem_compound_id>
  <chemspider_id/>
  <kegg_id>C04133</kegg_id>
  <chebi_id>16878</chebi_id>
  <biocyc_id>N-ACETYL-GLUTAMYL-P</biocyc_id>
  <het_id/>
  <wikipidia/>
  <foodb_id>FDB023917</foodb_id>
  <general_references>
  </general_references>
  <synthesis_reference/>
  <msds_url/>
  <enzymes>
  </enzymes>
  <transporters>
  </transporters>
  <reactions>
  </reactions>
  <concentrations>
  </concentrations>
</compound>
