<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-14 17:34:08 UTC</creation_date>
  <update_date>2026-08-23 15:32:12 UTC</update_date>
  <accession/>
  <common_name>Dimethyl fumarate</common_name>
  <class>SmallMolecule</class>
  <description>Dimethyl fumarate is an organic compound with the formula C6H8O4 and an average molecular weight of 144.13 g/mol. Dimethyl fumarate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This substance is recorded as being found in or released from six specific sources. These include electrical and electronic equipment, specifically antennas, gas filled discharge tubes with solid cathode, and power cables. It is also found in healthcare, pharmaceuticals, and veterinary products as immunosuppressants, as well as in food, food processing, and cookware for processing meats. Additionally, it is associated with household cleaning and consumer products, specifically non electric simulated smoking devices.

The recorded exposure route for this compound is oral. In terms of biological activity, dimethyl fumarate has two recorded protein targets. It acts as a binder and inhibitor, specifically serving as a binder of Transcription factor p65 (RELA) and Kelch-like ECH-associated protein 1 (KEAP1).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C6H8O4</chemical_formula>
  <average_molecular_weight>144.1253</average_molecular_weight>
  <monisotopic_moleculate_weight>144.0422587</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>624-49-7</cas_registry_number>
  <smiles>COC(=O)C=CC(=O)OC</smiles>
  <inchi>InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+</inchi>
  <inchikey>LDCRTTXIJACKKU-ONEGZZNKSA-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>0.72</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>144.1253</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>144.0422587</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>COC(=O)C=CC(=O)OC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H8O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>LDCRTTXIJACKKU-ONEGZZNKSA-N</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:0x00007f726c439b18&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB08908</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>637568</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
