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<compound>
  <id type="integer">8633</id>
  <title nil="true"/>
  <common-name>SODIUM STEARYL FUMARATE</common-name>
  <description>Sodium stearyl fumarate is an organic compound with the formula C22H39NaO4 and an average molecular weight of 390.53 g/mol. SODIUM STEARYL FUMARATE belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. In industrial applications, the compound is utilized as a filler, a leavening agent, and a lubricating agent.</description>
  <cas>4070-80-8</cas>
  <pubchem-id>23665634</pubchem-id>
  <chemical-formula>C22H39NaO4</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-05-19T02:26:57Z</created-at>
  <updated-at type="dateTime">2026-04-05T19:40:19Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[Na+].CCCCCCCCCCCCCCCCCCOC(=O)\C=C\C([O-])=O</moldb-smiles>
  <moldb-formula>C22H39NaO4</moldb-formula>
  <moldb-inchi>InChI=1S/C22H40O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;/h18-19H,2-17,20H2,1H3,(H,23,24);/q;+1/p-1/b19-18+;</moldb-inchi>
  <moldb-inchikey>STFSJTPVIIDAQX-LTRPLHCISA-M</moldb-inchikey>
  <moldb-average-mass type="decimal">390.5324</moldb-average-mass>
  <moldb-mono-mass type="decimal">390.274604411</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM007528</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00083279</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>66.42999999999999</moldb-polar-surface-area>
  <moldb-refractivity>118.5008</moldb-refractivity>
  <moldb-polarizability>47.10586322940034</moldb-polarizability>
  <moldb-rotatable-bond-count>20</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic>3.5486803345261393</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-6.835285634486588</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>8.39</moldb-alogps-logp>
  <moldb-alogps-logs>-7.08</moldb-alogps-logs>
  <moldb-alogps-solubility>3.28e-05 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Fatty Acyls</klass>
  <subklass>Fatty acid esters</subklass>
  <paper-count type="integer">55</paper-count>
  <sync-id>CED0014637</sync-id>
  <structure-inchikey>STFSJTPVIIDAQX-LTRPLHCISA-M</structure-inchikey>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:03:24Z</structure-indexed-at>
</compound>
