<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2011-09-21 00:42:43 UTC</creation_date>
  <update_date>2016-06-28 20:14:41 UTC</update_date>
  <accession>FDB024312</accession>
  <name>DG(16:0/22:4(7Z,10Z,13Z,16Z)/0:0)</name>
  <description>DG(16:0/22:4(7Z,10Z,13Z,16Z)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(16:0/22:4(7Z,10Z,13Z,16Z)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.</description>
  <synonyms>
    <synonym>1-Hexadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol</synonym>
    <synonym>1-palmitoyl-2-adrenoyl-sn-glycerol</synonym>
    <synonym>DAG(16:0/22:4)</synonym>
    <synonym>DAG(16:0/22:4n6)</synonym>
    <synonym>DAG(16:0/22:4w6)</synonym>
    <synonym>DAG(38:4)</synonym>
    <synonym>DG(16:0/22:4(7Z,10Z,13Z,16Z)/0:0)[iso2]</synonym>
    <synonym>DG(16:0/22:4)</synonym>
    <synonym>DG(16:0/22:4/0:0)</synonym>
    <synonym>DG(16:0/22:4n6)</synonym>
    <synonym>DG(16:0/22:4w6)</synonym>
    <synonym>DG(38:4)</synonym>
    <synonym>Diacylglycerol(16:0/22:4)</synonym>
    <synonym>Diacylglycerol(16:0/22:4n6)</synonym>
    <synonym>Diacylglycerol(16:0/22:4w6)</synonym>
    <synonym>Diacylglycerol(38:4)</synonym>
  </synonyms>
  <chemical_formula>C41H72O5</chemical_formula>
  <average_molecular_weight>645.0074</average_molecular_weight>
  <monisotopic_moleculate_weight>644.537975414</monisotopic_moleculate_weight>
  <iupac_name>(2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl docosa-7,10,13,16-tetraenoate</iupac_name>
  <traditional_iupac>(2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl docosa-7,10,13,16-tetraenoate</traditional_iupac>
  <cas_registry_number/>
  <smiles>[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC=CCC=CCC=CCC=CCCCCC</smiles>
  <inchi>InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,39,42H,3-10,12,14-16,19,22-23,25,27-38H2,1-2H3/t39-/m0/s1</inchi>
  <inchikey>OJVQSHJQMGRSFT-KDXMTYKHSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2.</description>
    <direct_parent>1,2-diacylglycerols</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Lipids and lipid-like molecules</super_class>
    <class>Glycerolipids</class>
    <sub_class>Diradylglycerols</sub_class>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Carboxylic acid esters</alternative_parent>
      <alternative_parent>Dicarboxylic acids and derivatives</alternative_parent>
      <alternative_parent>Fatty acid esters</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Primary alcohols</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>1,2-acyl-sn-glycerol</substituent>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Carboxylic acid ester</substituent>
      <substituent>Dicarboxylic acid or derivatives</substituent>
      <substituent>Fatty acid ester</substituent>
      <substituent>Fatty acyl</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Primary alcohol</substituent>
    </substituents>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state>Solid</state>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>10.14</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-7.68</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.35e-05 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>13.22</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>14.58</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>(2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl docosa-7,10,13,16-tetraenoate</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>645.0074</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>644.537975414</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCC=CCC=CCC=CCC=CCCCCC</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C41H72O5</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,39,42H,3-10,12,14-16,19,22-23,25,27-38H2,1-2H3/t39-/m0/s1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>OJVQSHJQMGRSFT-KDXMTYKHSA-N</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>72.83</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>199.77</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>82.1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>36</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>1</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>
  </pathways>
  <spectra>
  </spectra>
  <hmdb_id>HMDB07118</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
  </general_references>
  <foods>
    <food>
      <name>Anatidae</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Anatidae</name_scientific>
      <ncbi_taxonomy_id>8830</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Beefalo</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Bos taurus X Bison bison</name_scientific>
      <ncbi_taxonomy_id>297284</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Bison</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Bison bison</name_scientific>
      <ncbi_taxonomy_id>9901</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Buffalo</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Bubalus bubalis</name_scientific>
      <ncbi_taxonomy_id>89462</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Cattle (Beef, Veal)</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Bos taurus</name_scientific>
      <ncbi_taxonomy_id>9913</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Chicken</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Gallus gallus</name_scientific>
      <ncbi_taxonomy_id>9031</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Columbidae (Dove, Pigeon)</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Columbidae</name_scientific>
      <ncbi_taxonomy_id>8930</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Deer</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Cervidae</name_scientific>
      <ncbi_taxonomy_id>9850</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Domestic goat</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Capra aegagrus hircus</name_scientific>
      <ncbi_taxonomy_id>9925</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Domestic pig</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Sus scrofa domestica</name_scientific>
      <ncbi_taxonomy_id>9825</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Elk</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Cervus canadensis</name_scientific>
      <ncbi_taxonomy_id>1574408</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Emu</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Dromaius novaehollandiae</name_scientific>
      <ncbi_taxonomy_id>8790</ncbi_taxonomy_id>
    </food>
    <food>
      <name>European rabbit</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Oryctolagus</name_scientific>
      <ncbi_taxonomy_id>9984</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Greylag goose</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Anser anser</name_scientific>
      <ncbi_taxonomy_id>8843</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Guinea hen</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Numida meleagris</name_scientific>
      <ncbi_taxonomy_id>8996</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Horse</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Equus caballus</name_scientific>
      <ncbi_taxonomy_id>9796</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Mallard duck</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Anas platyrhynchos</name_scientific>
      <ncbi_taxonomy_id>8839</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Mountain hare</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Lepus timidus</name_scientific>
      <ncbi_taxonomy_id>62621</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Mule deer</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Odocoileus</name_scientific>
      <ncbi_taxonomy_id>9871</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Ostrich</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Struthio camelus</name_scientific>
      <ncbi_taxonomy_id>8801</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Pheasant</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Phasianus colchicus</name_scientific>
      <ncbi_taxonomy_id>9054</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Quail</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Phasianidae</name_scientific>
      <ncbi_taxonomy_id>9005</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Rabbit</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Leporidae</name_scientific>
      <ncbi_taxonomy_id>9979</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Rock ptarmigan</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Lagopus muta</name_scientific>
      <ncbi_taxonomy_id>64668</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Sheep (Mutton, Lamb)</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Ovis aries</name_scientific>
      <ncbi_taxonomy_id>9940</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Squab</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Columba</name_scientific>
      <ncbi_taxonomy_id>8931</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Turkey</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Meleagris gallopavo</name_scientific>
      <ncbi_taxonomy_id>9103</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Velvet duck</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Melanitta fusca</name_scientific>
      <ncbi_taxonomy_id>371864</ncbi_taxonomy_id>
    </food>
    <food>
      <name>Wild boar</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Sus scrofa</name_scientific>
      <ncbi_taxonomy_id>9823</ncbi_taxonomy_id>
    </food>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
    <enzyme>
      <name>2-acylglycerol O-acyltransferase 1</name>
      <uniprot_id>Q96PD6</uniprot_id>
      <uniprot_name/>
      <gene_name>MOGAT1</gene_name>
    </enzyme>
    <enzyme>
      <name>2-acylglycerol O-acyltransferase 2</name>
      <uniprot_id>Q3SYC2</uniprot_id>
      <uniprot_name/>
      <gene_name>MOGAT2</gene_name>
    </enzyme>
    <enzyme>
      <name>2-acylglycerol O-acyltransferase 3</name>
      <uniprot_id>Q86VF5</uniprot_id>
      <uniprot_name/>
      <gene_name>MOGAT3</gene_name>
    </enzyme>
    <enzyme>
      <name>Acyl-CoA wax alcohol acyltransferase 1</name>
      <uniprot_id>Q58HT5</uniprot_id>
      <uniprot_name/>
      <gene_name>AWAT1</gene_name>
    </enzyme>
    <enzyme>
      <name>Acyl-CoA wax alcohol acyltransferase 2</name>
      <uniprot_id>Q6E213</uniprot_id>
      <uniprot_name/>
      <gene_name>AWAT2</gene_name>
    </enzyme>
    <enzyme>
      <name>CDC42 binding protein kinase beta (DMPK-like)</name>
      <uniprot_id>A9JR72</uniprot_id>
      <uniprot_name/>
      <gene_name>CDC42BPB</gene_name>
    </enzyme>
    <enzyme>
      <name>CDC42-binding protein kinase beta</name>
      <uniprot_id>Q8IWQ7</uniprot_id>
      <uniprot_name/>
      <gene_name>CDC42BPA</gene_name>
    </enzyme>
    <enzyme>
      <name>Choline-phosphate cytidylyltransferase A</name>
      <uniprot_id>P49585</uniprot_id>
      <uniprot_name/>
      <gene_name>PCYT1A</gene_name>
    </enzyme>
    <enzyme>
      <name>Diacylglycerol O-acyltransferase 1</name>
      <uniprot_id>O75907</uniprot_id>
      <uniprot_name/>
      <gene_name>DGAT1</gene_name>
    </enzyme>
    <enzyme>
      <name>Diacylglycerol O-acyltransferase 2</name>
      <uniprot_id>Q96PD7</uniprot_id>
      <uniprot_name/>
      <gene_name>DGAT2</gene_name>
    </enzyme>
    <enzyme>
      <name>Diacylglycerol O-acyltransferase 2-like protein 6</name>
      <uniprot_id>Q6ZPD8</uniprot_id>
      <uniprot_name/>
      <gene_name>DGAT2L6</gene_name>
    </enzyme>
    <enzyme>
      <name>Endothelial lipase</name>
      <uniprot_id>Q9Y5X9</uniprot_id>
      <uniprot_name/>
      <gene_name>LIPG</gene_name>
    </enzyme>
    <enzyme>
      <name>Galactosylceramide sulfotransferase</name>
      <uniprot_id>Q99999</uniprot_id>
      <uniprot_name/>
      <gene_name>GAL3ST1</gene_name>
    </enzyme>
    <enzyme>
      <name>Gastric triacylglycerol lipase</name>
      <uniprot_id>P07098</uniprot_id>
      <uniprot_name/>
      <gene_name>LIPF</gene_name>
    </enzyme>
    <enzyme>
      <name>Hepatic triacylglycerol lipase</name>
      <uniprot_id>P11150</uniprot_id>
      <uniprot_name/>
      <gene_name>LIPC</gene_name>
    </enzyme>
    <enzyme>
      <name>Inactive pancreatic lipase-related protein 1</name>
      <uniprot_id>P54315</uniprot_id>
      <uniprot_name/>
      <gene_name>PNLIPRP1</gene_name>
    </enzyme>
    <enzyme>
      <name>Kinase suppressor of Ras 1</name>
      <uniprot_id>Q8IVT5</uniprot_id>
      <uniprot_name/>
      <gene_name>KSR1</gene_name>
    </enzyme>
    <enzyme>
      <name>Kinase suppressor of Ras 2</name>
      <uniprot_id>Q6VAB6</uniprot_id>
      <uniprot_name/>
      <gene_name>KSR2</gene_name>
    </enzyme>
    <enzyme>
      <name>Lipoprotein lipase</name>
      <uniprot_id>P06858</uniprot_id>
      <uniprot_name/>
      <gene_name>LPL</gene_name>
    </enzyme>
    <enzyme>
      <name>Pancreatic lipase-related protein 2</name>
      <uniprot_id>P54317</uniprot_id>
      <uniprot_name/>
      <gene_name>PNLIPRP2</gene_name>
    </enzyme>
    <enzyme>
      <name>Pancreatic lipase-related protein 3</name>
      <uniprot_id>Q17RR3</uniprot_id>
      <uniprot_name/>
      <gene_name>PNLIPRP3</gene_name>
    </enzyme>
    <enzyme>
      <name>Pancreatic triacylglycerol lipase</name>
      <uniprot_id>P16233</uniprot_id>
      <uniprot_name/>
      <gene_name>PNLIP</gene_name>
    </enzyme>
    <enzyme>
      <name>Patatin-like phospholipase domain-containing protein 2</name>
      <uniprot_id>Q96AD5</uniprot_id>
      <uniprot_name/>
      <gene_name>PNPLA2</gene_name>
    </enzyme>
    <enzyme>
      <name>Patatin-like phospholipase domain-containing protein 3</name>
      <uniprot_id>Q9NST1</uniprot_id>
      <uniprot_name/>
      <gene_name>PNPLA3</gene_name>
    </enzyme>
    <enzyme>
      <name>Patatin-like phospholipase domain-containing protein 4</name>
      <uniprot_id>P41247</uniprot_id>
      <uniprot_name/>
      <gene_name>PNPLA4</gene_name>
    </enzyme>
    <enzyme>
      <name>Phosphatidate cytidylyltransferase 2</name>
      <uniprot_id>O95674</uniprot_id>
      <uniprot_name/>
      <gene_name>CDS2</gene_name>
    </enzyme>
    <enzyme>
      <name>Phosphatidylcholine:ceramide cholinephosphotransferase 1</name>
      <uniprot_id>Q86VZ5</uniprot_id>
      <uniprot_name/>
      <gene_name>SGMS1</gene_name>
    </enzyme>
    <enzyme>
      <name>Phosphatidylcholine:ceramide cholinephosphotransferase 2</name>
      <uniprot_id>Q8NHU3</uniprot_id>
      <uniprot_name/>
      <gene_name>SGMS2</gene_name>
    </enzyme>
    <enzyme>
      <name>Putative diacylglycerol O-acyltransferase 2-like protein 7</name>
      <uniprot_id>Q6IED9</uniprot_id>
      <uniprot_name/>
      <gene_name>DGAT2L7</gene_name>
    </enzyme>
    <enzyme>
      <name>Tensin-like C1 domain-containing phosphatase</name>
      <uniprot_id>Q63HR2</uniprot_id>
      <uniprot_name/>
      <gene_name>TENC1</gene_name>
    </enzyme>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
