<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-22 05:32:23 UTC</creation_date>
  <update_date>2026-04-02 23:08:34 UTC</update_date>
  <accession/>
  <common_name>Tripalmitin</common_name>
  <class>SmallMolecule</class>
  <description>Tripalmitin is a chemical compound with the formula C51H98O6. Tripalmitin belongs to the triradylcglycerols, a subclass of glycerolipids within the organic compounds. With an average molecular weight of 807.32 g/mol, Tripalmitin is a heavy molecule. In industrial applications, this compound is utilized as a viscosity modifier, as well as a softener and conditioner.

Tripalmitin is found in or released from 22 recorded sources. Within the category of electrical and electronic equipment, it is associated with electrodes, amplifiers, electric switches, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials, among four other sources. In the realm of household cleaning and consumer products, it appears in bleaching agents, cigar cigarettes, non electric simulated smoking devices, other smoking requisites, and perfumes within detergents and soaps, along with two additional sources. Furthermore, it is present in food, food processing and cookware, specifically in food contact materials, food preservation, the preparation of malt, the preparation of vinegar, and fermentation processes for beer, plus one other source. Recorded routes of exposure for this compound include touch, oral, and inhalation.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>Glycerol trihexadecanoate</synonym>
  </synonyms>
  <chemical_formula>C51H98O6</chemical_formula>
  <average_molecular_weight>807.3202</average_molecular_weight>
  <monisotopic_moleculate_weight>806.736340868</monisotopic_moleculate_weight>
  <iupac_name>1,3-bis(hexadecanoyloxy)propan-2-yl hexadecanoate</iupac_name>
  <traditional_iupac>tripalmitin</traditional_iupac>
  <cas_registry_number>555-44-2</cas_registry_number>
  <smiles>CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC</smiles>
  <inchi>InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3</inchi>
  <inchikey>PVNIQBQSYATKKL-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Lipids and lipid-like molecules</super_class>
    <class>Glycerolipids</class>
    <sub_class>Triradylcglycerols</sub_class>
    <direct_parent>Triacylglycerols</direct_parent>
    <alternate_parents>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Carboxylic acid esters</alternative_parent>
      <alternative_parent>Fatty acid esters</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Tricarboxylic acids and derivatives</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Carboxylic acid ester</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>Triacyl-sn-glycerol</substituent>
      <substituent>Tricarboxylic acid or derivatives</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>Triacylglycerols</descriptor>
      <descriptor>a triacylglycerol</descriptor>
      <descriptor>triglyceride</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Glycerolipid Metabolism</name>
      <smpdb_id>SMP0000039</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Glycerol Kinase Deficiency</name>
      <smpdb_id>SMP0000187</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>D-Glyceric Acidura</name>
      <smpdb_id>SMP0000529</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Familial Lipoprotein Lipase Deficiency</name>
      <smpdb_id>SMP0000530</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>De Novo Triacylglycerol Biosynthesis TG(16:0/16:0/16:0)</name>
      <smpdb_id>SMP0015901</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Glycerol Kinase Deficiency</name>
      <smpdb_id>SMP0125704</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>D-Glyceric Aciduria</name>
      <smpdb_id>SMP0125705</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Familial Lipoprotein Lipase Deficiency</name>
      <smpdb_id>SMP0125706</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>10.59</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-7.84</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.16e-05 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>18.92</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-6.6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>1,3-bis(hexadecanoyloxy)propan-2-yl hexadecanoate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>807.3202</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>806.736340868</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C51H98O6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>PVNIQBQSYATKKL-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>78.9</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>241.29</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>109.39</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>50</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</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>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72218c0dd0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>11147</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>10674</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
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  </targets>
</compound>
