<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:04:51 UTC</creation_date>
  <update_date>2019-11-26 02:56:02 UTC</update_date>
  <accession>FDB001159</accession>
  <name>alpha-D-Galactopyranose 1-dihydrogen phosphate</name>
  <description>Occurs in liver, milk, and yeasts

Galactose 1-phosphate is an intermediate in the Galactose metabolism; and Nucleotide sugars metabolism pathways (KEGG); Galactose-1-phosphate is an intermediate in the intraconversion of glucose and galactose. It is formed from galactose by galactokinase. (Wikipeida); Galactose-1-phosphate is an intermediate in the intraconversion of glucose and galactose. alpha-D-Galactopyranose 1-dihydrogen phosphate is found in milk and milk products and animal foods.</description>
  <synonyms>
    <synonym>1-(Dihydrogen ate) galactitol</synonym>
    <synonym>1-(dihydrogen phosphate) Galactitol</synonym>
    <synonym>1-ate a-D-Galactopyranose</synonym>
    <synonym>1-O-ONO-a-D-Galactopyranose</synonym>
    <synonym>1-O-ONO-alpha-D-Galactopyranose</synonym>
    <synonym>1-O-ONO-α-D-galactopyranose</synonym>
    <synonym>1-phosphate a-D-Galactopyranose</synonym>
    <synonym>a-D-1-(Dihydrogen ate) galactopyranose</synonym>
    <synonym>a-D-1-(dihydrogen phosphate) Galactopyranose</synonym>
    <synonym>a-D-Gal-1-P</synonym>
    <synonym>a-D-Galactopyranose 1-ate</synonym>
    <synonym>a-D-Galactopyranose 1-ic acid</synonym>
    <synonym>a-D-Galactopyranose, 1-(dihydrogen ate)</synonym>
    <synonym>a-D-Galactopyranose, 1-(dihydrogen ic acid)</synonym>
    <synonym>a-D-Galactopyranosyl ate</synonym>
    <synonym>a-D-Galactopyranosyl ic acid</synonym>
    <synonym>A-d-galactopyranosyl phosphate</synonym>
    <synonym>a-D-Galactose 1-ate</synonym>
    <synonym>a-D-Galactose 1-ic acid</synonym>
    <synonym>a-D-Galactose 1-phosphate</synonym>
    <synonym>a-D-Galactosyl ate</synonym>
    <synonym>a-D-Galactosyl ic acid</synonym>
    <synonym>A-d-galactosyl phosphate</synonym>
    <synonym>alpha-D-1-(Dihydrogen ate) galactopyranose</synonym>
    <synonym>alpha-D-1-(dihydrogen phosphate) Galactopyranose</synonym>
    <synonym>alpha-D-Gal-1-P</synonym>
    <synonym>alpha-D-Galactopyranose 1-ate</synonym>
    <synonym>alpha-D-Galactopyranose 1-ic acid</synonym>
    <synonym>alpha-D-Galactopyranose 1-phosphate</synonym>
    <synonym>alpha-D-Galactopyranose, 1-(dihydrogen ate)</synonym>
    <synonym>alpha-D-Galactopyranose, 1-(dihydrogen ic acid)</synonym>
    <synonym>alpha-D-Galactopyranosyl ate</synonym>
    <synonym>alpha-D-Galactopyranosyl ic acid</synonym>
    <synonym>Alpha-d-galactopyranosyl phosphate</synonym>
    <synonym>alpha-D-Galactose 1-ate</synonym>
    <synonym>alpha-D-Galactose 1-ic acid</synonym>
    <synonym>alpha-D-Galactose 1-phosphate</synonym>
    <synonym>alpha-D-Galactosyl ate</synonym>
    <synonym>alpha-D-Galactosyl ic acid</synonym>
    <synonym>Alpha-d-galactosyl phosphate</synonym>
    <synonym>Cori ester</synonym>
    <synonym>D-Galactose 1-ate</synonym>
    <synonym>D-Galactose 1-phosphate</synonym>
    <synonym>Galactopyranose 1-ate</synonym>
    <synonym>Galactopyranose 1-phosphate</synonym>
    <synonym>Galactose 1-ate</synonym>
    <synonym>Galactose 1-phosphate</synonym>
    <synonym>Galactose 1-phosphic acid</synonym>
    <synonym>Galactose-1-ate</synonym>
    <synonym>Galactose-1-ic acid</synonym>
    <synonym>α-D-gal-1-P</synonym>
    <synonym>α-D-galactopyranose 1-ate</synonym>
    <synonym>α-D-galactopyranose 1-ic acid</synonym>
    <synonym>α-D-galactopyranose, 1-(dihydrogen ate)</synonym>
    <synonym>α-D-galactopyranose, 1-(dihydrogen ic acid)</synonym>
    <synonym>α-D-galactopyranosyl ate</synonym>
    <synonym>α-D-galactopyranosyl ic acid</synonym>
    <synonym>α-D-galactose 1-ate</synonym>
    <synonym>α-D-galactose 1-ic acid</synonym>
    <synonym>α-D-galactosyl ate</synonym>
    <synonym>α-D-galactosyl ic 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>{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid</iupac_name>
  <traditional_iupac>galactose 1 phosphate</traditional_iupac>
  <cas_registry_number>2255-14-3</cas_registry_number>
  <smiles>OCC1OC(OP(O)(O)=O)C(O)C(O)C1O</smiles>
  <inchi>InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)</inchi>
  <inchikey>HXXFSFRBOHSIMQ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.</description>
    <direct_parent>Monosaccharide phosphates</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic oxygen compounds</super_class>
    <class>Organooxygen compounds</class>
    <sub_class>Carbohydrates and carbohydrate conjugates</sub_class>
    <molecular_framework>Aliphatic heteromonocyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Hexoses</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Monoalkyl phosphates</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Oxacyclic compounds</alternative_parent>
      <alternative_parent>Oxanes</alternative_parent>
      <alternative_parent>Polyols</alternative_parent>
      <alternative_parent>Primary alcohols</alternative_parent>
      <alternative_parent>Secondary alcohols</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic heteromonocyclic compound</substituent>
      <substituent>Alkyl phosphate</substituent>
      <substituent>Hexose monosaccharide</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Monoalkyl phosphate</substituent>
      <substituent>Monosaccharide phosphate</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic phosphoric acid derivative</substituent>
      <substituent>Organoheterocyclic compound</substituent>
      <substituent>Oxacycle</substituent>
      <substituent>Oxane</substituent>
      <substituent>Phosphoric acid ester</substituent>
      <substituent>Polyol</substituent>
      <substituent>Primary alcohol</substituent>
      <substituent>Secondary alcohol</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>D-galactopyranose 1-phosphate</external_descriptor>
      <external_descriptor>alpha-D-hexose 1-phosphate</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state>Solid</state>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-2.00</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.91</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>3.23e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-3.1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>1.16</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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>OCC1OC(OP(O)(O)=O)C(O)C(O)C1O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C6H13O9P</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>HXXFSFRBOHSIMQ-UHFFFAOYSA-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>46.8</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>20.62</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>3</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>
    <pathway>
      <name>Galactose Metabolism</name>
      <smpdb_id>SMP00043</smpdb_id>
      <kegg_map_id>map00052</kegg_map_id>
    </pathway>
    <pathway>
      <name>Lactose Synthesis</name>
      <smpdb_id>SMP00444</smpdb_id>
      <kegg_map_id></kegg_map_id>
    </pathway>
    <pathway>
      <name>Nucleotide Sugars Metabolism</name>
      <smpdb_id>SMP00010</smpdb_id>
      <kegg_map_id>map00520</kegg_map_id>
    </pathway>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>2915</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>37670</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>134920</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>142654</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1071142</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1071144</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1071146</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1071148</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1071150</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1071151</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1071153</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1071155</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1071157</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1071159</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1071161</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1071163</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1071165</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1071167</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1071168</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1071170</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1071172</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1071174</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1071176</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1071178</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>1071180</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
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    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
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    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
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    </spectrum>
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      <type>Specdb::NmrOneD</type>
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    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
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    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
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    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
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    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
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    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
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    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
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    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
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    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
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    </spectrum>
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    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
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    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
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    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
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    </spectrum>
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    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
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    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
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    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
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    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
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    </spectrum>
    <spectrum>
      <type>Specdb::NmrOneD</type>
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    </spectrum>
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      <spectrum_id>28337</spectrum_id>
    </spectrum>
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    <spectrum>
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      <spectrum_id>439124</spectrum_id>
    </spectrum>
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    </spectrum>
    <spectrum>
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      <spectrum_id>440089</spectrum_id>
    </spectrum>
    <spectrum>
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      <spectrum_id>1473413</spectrum_id>
    </spectrum>
    <spectrum>
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      <spectrum_id>1473414</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1475346</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1475347</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1475348</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1475349</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1475350</spectrum_id>
    </spectrum>
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      <type>Specdb::MsMs</type>
      <spectrum_id>1475351</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1475352</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1475353</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1475354</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1475355</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1475356</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1475357</spectrum_id>
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    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1475358</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1475359</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB00645</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id>17973</chebi_id>
  <biocyc_id/>
  <het_id>GL1</het_id>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
    <reference>#&lt;Reference:0x000055ce2ca5e7b8&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2ca5e4e8&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2ca5e2e0&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2ca5de30&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2ca5d908&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2ca5d610&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2ca5d3e0&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2ca5cfd0&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2ca5ca58&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2ca5c828&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2ca5c4e0&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2ca5c288&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2ca5be78&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2ca5bc20&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2ca5b9f0&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2ca5b6a8&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2ca5b450&gt;</reference>
    <reference>#&lt;Reference:0x000055ce2ca5b1f8&gt;</reference>
  </general_references>
  <foods>
    <food>
      <name>Milk (Cow)</name>
      <food_type>Type 2</food_type>
      <category>specific</category>
      <name_scientific></name_scientific>
      <ncbi_taxonomy_id/>
      <average_value>1315.5</average_value>
      <max_value>1315.5</max_value>
      <min_value>1315.5</min_value>
      <unit>uM</unit>
    </food>
    <food>
      <name>Milk and milk products</name>
      <food_type>Unknown</food_type>
      <category>generic</category>
      <name_scientific/>
      <ncbi_taxonomy_id/>
    </food>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
    <enzyme>
      <name>Galactokinase</name>
      <uniprot_id>P51570</uniprot_id>
      <uniprot_name/>
      <gene_name>GALK1</gene_name>
    </enzyme>
    <enzyme>
      <name>N-acetylgalactosamine kinase</name>
      <uniprot_id>Q01415</uniprot_id>
      <uniprot_name/>
      <gene_name>GALK2</gene_name>
    </enzyme>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
