<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>2.0</version>
  <creation_date>2012-08-15 08:51:37 -0600</creation_date>
  <update_date>2015-06-03 17:22:02 -0600</update_date>
  <accession>ECMDB21663</accession>
  <m2m_id>M2MDB002053</m2m_id>
  <name>beta-D-Fructose 2-phosphate</name>
  <description>Beta-D-Fructose 2-phosphate is involved in the fructose eand mannose system.  beta-D-Fructose 2-phosphate is produced from beta-D-Fructose 2,6-bisphosphate by the enzyme fructose-2,6-bisphosphate 6-phosphatase [EC 3.1.3.54].</description>
  <synonyms>
    <synonym>2-O-phosphono-b-D-Fructofuranose</synonym>
    <synonym>2-O-Phosphono-beta-D-fructofuranose</synonym>
    <synonym>2-O-phosphono-β-D-Fructofuranose</synonym>
    <synonym>2-phospho-b-D-Fructofuranose</synonym>
    <synonym>2-Phospho-beta-D-fructofuranose</synonym>
    <synonym>2-phospho-β-D-Fructofuranose</synonym>
    <synonym>b-D-Fructofuranose 2-(dihydrogen phosphate)</synonym>
    <synonym>b-D-Fructofuranose 2-(dihydrogen phosphoric acid)</synonym>
    <synonym>b-D-Fructofuranose 2-phosphate</synonym>
    <synonym>b-D-Fructofuranose 2-phosphoric acid</synonym>
    <synonym>b-D-Fructose 2-phosphate</synonym>
    <synonym>b-D-Fructose 2-phosphoric acid</synonym>
    <synonym>Beta-D-Fructofuranose 2-(dihydrogen phosphate)</synonym>
    <synonym>beta-D-Fructofuranose 2-(dihydrogen phosphoric acid)</synonym>
    <synonym>Beta-D-Fructofuranose 2-phosphate</synonym>
    <synonym>beta-D-Fructofuranose 2-phosphoric acid</synonym>
    <synonym>Beta-D-Fructose 2-phosphate</synonym>
    <synonym>beta-D-Fructose 2-phosphoric acid</synonym>
    <synonym>β-D-Fructofuranose 2-(dihydrogen phosphate)</synonym>
    <synonym>β-D-Fructofuranose 2-(dihydrogen phosphoric acid)</synonym>
    <synonym>β-D-Fructofuranose 2-phosphate</synonym>
    <synonym>β-D-Fructofuranose 2-phosphoric acid</synonym>
    <synonym>β-D-Fructose 2-phosphate</synonym>
    <synonym>β-D-Fructose 2-phosphoric acid</synonym>
  </synonyms>
  <chemical_formula>C6H13O9P</chemical_formula>
  <average_molecular_weight>260.1358</average_molecular_weight>
  <monisotopic_moleculate_weight>260.029718526</monisotopic_moleculate_weight>
  <iupac_name>{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}phosphonic acid</iupac_name>
  <traditional_iupac>fructose-2-phosphate</traditional_iupac>
  <cas_registry_number>19046-69-6</cas_registry_number>
  <smiles>OC[C@H]1O[C@@](CO)(OP(O)(O)=O)[C@@H](O)[C@@H]1O</smiles>
  <inchi>InChI=1S/C6H13O9P/c7-1-3-4(9)5(10)6(2-8,14-3)15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6+/m1/s1</inchi>
  <inchikey>PMTUDJVZIGZBIX-ZXXMMSQZSA-N</inchikey>
  <state>Solid</state>
  <cellular_locations>
    <cellular_location>Cytoplasm</cellular_location>
  </cellular_locations>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-2.09</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.88</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.44e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-2.9</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>0.83</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}phosphonic acid</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>260.1358</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>260.029718526</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>OC[C@H]1O[C@@](CO)(OP(O)(O)=O)[C@@H](O)[C@@H]1O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C6H13O9P</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C6H13O9P/c7-1-3-4(9)5(10)6(2-8,14-3)15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6+/m1/s1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>PMTUDJVZIGZBIX-ZXXMMSQZSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>156.91</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>47.23</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>20.89</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>8</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>-2</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>10594</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>39092</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>151442</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>91512</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>91513</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>91514</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>91515</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>91516</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>91517</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>91518</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>91519</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>91520</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>91521</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>91522</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>91523</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>91524</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>91525</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>91526</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>91527</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>91528</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>91529</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>91530</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
      <spectrum_id>91531</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>25508</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>25509</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>25510</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>32066</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>32067</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>32068</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2675497</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2675498</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2675499</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3033701</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3033702</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3033703</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB06800</hmdb_id>
  <pubchem_compound_id>717</pubchem_compound_id>
  <chemspider_id>167949</chemspider_id>
  <kegg_id>C03267</kegg_id>
  <chebi_id>12350</chebi_id>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <foodb_id/>
  <general_references>
  </general_references>
  <synthesis_reference/>
  <msds_url/>
  <enzymes>
    <enzyme>
      <name>Bifunctional protein glmU</name>
      <uniprot_id>P0ACC7</uniprot_id>
      <uniprot_name>GLMU_ECOLI</uniprot_name>
      <gene_name>glmU</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P0ACC7.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>Phosphoglucosamine mutase</name>
      <uniprot_id>P31120</uniprot_id>
      <uniprot_name>GLMM_ECOLI</uniprot_name>
      <gene_name>glmM</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P31120.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>2-deoxyglucose-6-P phosphatase</name>
      <uniprot_id>P77247</uniprot_id>
      <uniprot_name/>
      <gene_name>yniC</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P77247.xml</protein_url>
    </enzyme>
    <enzyme>
      <name>sugar phosphatas</name>
      <uniprot_id>P77625</uniprot_id>
      <uniprot_name/>
      <gene_name>yfbT</gene_name>
      <protein_url>http://ecmdb.ca/proteins/P77625.xml</protein_url>
    </enzyme>
  </enzymes>
  <transporters>
  </transporters>
  <reactions>
    <reaction_text>beta-D-Fructose 2-phosphate + Water &lt;&gt; D-Fructose + Phosphate</reaction_text>
    <kegg_reaction_id>R00872</kegg_reaction_id>
    <ecocyc_id/>
    <pw_reaction_id/>
  </reactions>
  <concentrations>
  </concentrations>
</compound>
