<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-09-01 00:16:43 UTC</creation_date>
  <update_date>2026-09-01 00:16:43 UTC</update_date>
  <accession/>
  <common_name>2-[hydroxy-[(2r)-3-octadecanoyloxy-2-tetradecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium</common_name>
  <class>SmallMolecule</class>
  <description>2-[hydroxy-[(2r)-3-octadecanoyloxy-2-tetradecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium is a chemical compound with the formula C40H81NO8P+. With an average molecular weight of 735.00 g/mol, 2-[hydroxy-[(2r)-3-octadecanoyloxy-2-tetradecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium is a heavy molecule. This substance has been identified in or released from two recorded sources, specifically within household cleaning and consumer products, including pipe accessories and non electric simulated smoking devices.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C40H81NO8P+</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>734.5699805</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC</smiles>
  <inchi>InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/p+1/t38-/m1/s1</inchi>
  <inchikey>MZWGYEJOZNRLQE-KXQOOQHDSA-O</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>13.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>734.5699805</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C40H81NO8P+</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/p+1/t38-/m1/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>MZWGYEJOZNRLQE-KXQOOQHDSA-O</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bae2808c0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>3082164</pubchem_compound_id>
  <chembl_id/>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
