<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 18:19:28 UTC</creation_date>
  <update_date>2026-04-17 17:26:30 UTC</update_date>
  <accession/>
  <common_name>Iron tristearate</common_name>
  <class>SmallMolecule</class>
  <description>Iron tristearate is a chemical compound with the molecular formula C54H105FeO6. Iron tristearate belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. With an average molecular weight of 906.30 g/mol, Iron tristearate is a heavy molecule.

This substance has been identified in or released from seven recorded sources. Within the category of electrical and electronic equipment, it is found in power cables, electric switches, antennas, coils, and cores yokes or armatures, among one additional source. Additionally, it is associated with household cleaning and consumer products, specifically appearing in cigar cigarettes.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C54H105FeO6</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>905.7260536</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>5136-76-5</cas_registry_number>
  <smiles>CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Fe+3]</smiles>
  <inchi>InChI=1/3C18H36O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+3/p-3</inchi>
  <inchikey>XHQSLVIGPHXVAK-UHFFFAOYSA-K</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/>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>905.7260536</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Fe+3]</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C54H105FeO6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/3C18H36O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+3/p-3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XHQSLVIGPHXVAK-UHFFFAOYSA-K</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:0x00007f7227dfe940&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>68388</pubchem_compound_id>
  <chembl_id/>
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  <biocyc_id/>
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