<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">74418</id>
  <title nil="true"/>
  <common-name>9-Octadecenoic acid (9Z)-, 2-(diethylamino)ethyl ester</common-name>
  <description>9-Octadecenoic acid (9Z)-, 2-(diethylamino)ethyl ester belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. It is classified under the superclass of lipids and lipid-like molecules. The compound has the formula C24H47N1O2 and an average molecular weight of 381.64 g/mol.</description>
  <cas>45296-12-6</cas>
  <pubchem-id>170760</pubchem-id>
  <chemical-formula>C24H47N1O2</chemical-formula>
  <weight>381.6</weight>
  <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">2026-04-04T01:45:14Z</created-at>
  <updated-at type="dateTime">2026-08-31T00:46:09Z</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>CCCCCCCCC=CCCCCCCCC(=O)OCCN(CC)CC</moldb-smiles>
  <moldb-formula>C24H47N1O2</moldb-formula>
  <moldb-inchi>InChI=1S/C24H47NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)27-23-22-25(5-2)6-3/h13-14H,4-12,15-23H2,1-3H3/b14-13-</moldb-inchi>
  <moldb-inchikey>VWTYZZXUXJVLIO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">381.645</moldb-average-mass>
  <moldb-mono-mass type="decimal">381.36068</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>8.4</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4945794</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>CHEM070311</chemdb-id>
  <dsstox-id>DTXSID2068472</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00031514</susdat-id>
  <iupac>2-(diethylamino)ethyl octadec-9-enoate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Fatty Acyls</klass>
  <subklass>Fatty acid esters</subklass>
  <paper-count type="integer">3</paper-count>
  <sync-id>CED0048786</sync-id>
  <structure-inchikey>VWTYZZXUXJVLIO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000800000000000000010000000000000000000000000100000000002000000000000000000000000004000000000000000000000000000000000000000000000010000000800000020000004000300000000000000000001000020010000000000000000004000000000000800000000000000000000000020000040000000000000000000010000000000000800000000000000001000000000000000000000080000002001000000000088000000000000000000000000000008000000000000000000000000080000000000000000000010000000000000000000000000000000000000010400000001000000040000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`�������h��������h��������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`������� ������`�������`�������`�������`�������������������������������	��	
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  <structure-indexed-at type="dateTime">2026-09-19T04:22:53Z</structure-indexed-at>
</compound>
