<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:05:37 UTC</creation_date>
  <update_date>2025-11-18 22:46:23 UTC</update_date>
  <accession>FDB003001</accession>
  <name>Glycerol 1,3-dihexadecanoate</name>
  <description>Constituent of Panax ginseng (ginseng). Glycerol 1,3-dihexadecanoate is found in tea.</description>
  <synonyms>
    <synonym>1-Hexadecanoyl-3-hexadecanoyl-sn-glycerol</synonym>
    <synonym>1-Palmitoyl-3-palmitoyl-sn-glycerol</synonym>
    <synonym>1,3-Di-(hexadecanoyl)-glycerol</synonym>
    <synonym>1,3-Di-O-hexadecanoylglycerol</synonym>
    <synonym>1,3-Di(hexadecanoyloxy)-2-propanol</synonym>
    <synonym>1,3-Dihexa-decanoyl-rac-glycerol</synonym>
    <synonym>1,3-Dihexadecanoylglycerol</synonym>
    <synonym>1,3-Dipalmitin</synonym>
    <synonym>1,3-Dipalmitoyl-glycerol</synonym>
    <synonym>1,3-DIPALMITOYLGLYCEROL</synonym>
    <synonym>2-Hydroxypropane-1,3-diyl dipalmitate</synonym>
    <synonym>2-Hydroxypropane-1,3-diyl dipalmitic acid</synonym>
    <synonym>a,a'-Dipalmitin</synonym>
    <synonym>Alpha,gamma-dipalmitin</synonym>
    <synonym>DAG(16:0/0:0/16:0)</synonym>
    <synonym>DAG(32:0)</synonym>
    <synonym>DG(16:0/0:0/16:0)</synonym>
    <synonym>DG(32:0)</synonym>
    <synonym>Diacylglycerol(16:0/0:0/16:0)</synonym>
    <synonym>Diacylglycerol(32:0)</synonym>
    <synonym>Dipalmitin</synonym>
    <synonym>Glycerol 1,3-dipalmitate</synonym>
    <synonym>Glycerol dipalmitate</synonym>
    <synonym>Glyceryl 1,3-dipalmitate</synonym>
    <synonym>Glyceryl 1,3-dipalmitic acid</synonym>
    <synonym>Glyceryl dipalmitate</synonym>
    <synonym>Hexadecanoic acid 2-hydroxy-1,3-propanediyl ester</synonym>
    <synonym>Hexadecanoic acid, 2-hydroxy-1,3-propanediyl ester</synonym>
    <synonym>Hexadecanoic acid, diester with 1,2,3-propanetriol</synonym>
    <synonym>Palmitin, 1,3-di-</synonym>
  </synonyms>
  <chemical_formula>C35H68O5</chemical_formula>
  <average_molecular_weight>568.9114</average_molecular_weight>
  <monisotopic_moleculate_weight>568.506675286</monisotopic_moleculate_weight>
  <iupac_name>3-(hexadecanoyloxy)-2-hydroxypropyl hexadecanoate</iupac_name>
  <traditional_iupac>3-(hexadecanoyloxy)-2-hydroxypropyl hexadecanoate</traditional_iupac>
  <cas_registry_number>502-52-3</cas_registry_number>
  <smiles>[H]C(O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC</smiles>
  <inchi>InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3</inchi>
  <inchikey>GFAZGHREJPXDMH-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as 1,3-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 3.</description>
    <direct_parent>1,3-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>Secondary alcohols</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>1,3-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>Secondary alcohol</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>1,3-diglyceride</external_descriptor>
      <external_descriptor>palmitic acid</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state>Solid</state>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>9.94</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-7.44</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>2.07e-05 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>Mp 73-74°</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>12</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>13.63</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-3.4</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>3-(hexadecanoyloxy)-2-hydroxypropyl hexadecanoate</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>568.9114</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>568.506675286</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[H]C(O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C35H68O5</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>GFAZGHREJPXDMH-UHFFFAOYSA-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>167.7</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>75.6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>34</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>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>42311</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>247534</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>86679</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>86680</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>86681</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>149031</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>149032</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>149033</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2261017</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2261018</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2261019</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3019638</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3019639</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>3019640</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB56009</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>Black tea</name>
      <food_type>Type 1</food_type>
      <category/>
      <name_scientific/>
      <ncbi_taxonomy_id/>
    </food>
    <food>
      <name>Green tea</name>
      <food_type>Type 1</food_type>
      <category/>
      <name_scientific/>
      <ncbi_taxonomy_id/>
    </food>
    <food>
      <name>Herbal tea</name>
      <food_type>Type 1</food_type>
      <category/>
      <name_scientific/>
      <ncbi_taxonomy_id/>
    </food>
    <food>
      <name>Red tea</name>
      <food_type>Type 1</food_type>
      <category/>
      <name_scientific/>
      <ncbi_taxonomy_id/>
    </food>
    <food>
      <name>Tea</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Camellia sinensis</name_scientific>
      <ncbi_taxonomy_id>4442</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>
