<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">10081</id>
  <title nil="true"/>
  <common-name>13-Docosenamide, N-octadecyl-, (13Z)-</common-name>
  <description nil="true"/>
  <cas>10094-45-8</cas>
  <pubchem-id>6436363</pubchem-id>
  <chemical-formula>C40H79NO</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">2016-05-19T02:55:58Z</created-at>
  <updated-at type="dateTime">2026-03-31T18:00:09Z</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>[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCC(O)=NCCCCCCCCCCCCCCCCCC</moldb-smiles>
  <moldb-formula>C40H79NO</moldb-formula>
  <moldb-inchi>InChI=1S/C40H79NO/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(42)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-39H2,1-2H3,(H,41,42)/b19-17-</moldb-inchi>
  <moldb-inchikey>FUSNPOOETKRESL-ZPHPHTNESA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">590.078</moldb-average-mass>
  <moldb-mono-mass type="decimal">589.616166168</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4941002</chemspider-id>
  <structure-image-file-name nil="true"/>
  <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>CHEM008976</chemdb-id>
  <dsstox-id>DTXSID20884445</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00009805</susdat-id>
  <iupac>(13Z)-N-octadecyldocos-13-enimidic acid</iupac>
</compound>
