<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-09-01 01:20:23 UTC</creation_date>
  <update_date>2026-09-01 01:20:23 UTC</update_date>
  <accession/>
  <common_name>2-[2-(9,10-dioctylicosan-9-yloxy)-2-oxoethyl]-2-hydroxybutanedioic acid</common_name>
  <class>SmallMolecule</class>
  <description>2-[2-(9,10-dioctylicosan-9-yloxy)-2-oxoethyl]-2-hydroxybutanedioic acid is a chemical compound with the formula C42H80O7. With an average molecular weight of 697.10 g/mol, 2-[2-(9,10-dioctylicosan-9-yloxy)-2-oxoethyl]-2-hydroxybutanedioic acid is a heavy molecule.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C42H80O7</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>696.5904049</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>CCCCCCCCCCC(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)OC(=O)CC(CC(=O)O)(C(=O)O)O</smiles>
  <inchi>InChI=1S/C42H80O7/c1-5-9-13-17-21-22-24-28-32-37(31-27-23-18-14-10-6-2)42(33-29-25-19-15-11-7-3,34-30-26-20-16-12-8-4)49-39(45)36-41(48,40(46)47)35-38(43)44/h37,48H,5-36H2,1-4H3,(H,43,44)(H,46,47)</inchi>
  <inchikey>RIICSBODUUINQE-UHFFFAOYSA-N</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>15.7</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>696.5904049</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCC(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)OC(=O)CC(CC(=O)O)(C(=O)O)O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C42H80O7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C42H80O7/c1-5-9-13-17-21-22-24-28-32-37(31-27-23-18-14-10-6-2)42(33-29-25-19-15-11-7-3,34-30-26-20-16-12-8-4)49-39(45)36-41(48,40(46)47)35-38(43)44/h37,48H,5-36H2,1-4H3,(H,43,44)(H,46,47)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>RIICSBODUUINQE-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
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  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7278a1e248&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>54268301</pubchem_compound_id>
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  <biocyc_id/>
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  <wikipidia/>
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</compound>
