<?xml version="1.0" encoding="UTF-8"?>
<compound>
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  <common-name>[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[(z)-octadec-11-enoyl]oxypropyl] docosanoate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>131821523</pubchem-id>
  <chemical-formula>C47H92NO8P</chemical-formula>
  <weight>830.2</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">2026-09-01T05:00:17Z</created-at>
  <updated-at type="dateTime">2026-09-01T05:00:17Z</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>CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCC=CCCCCCC</moldb-smiles>
  <moldb-formula>C47H92NO8P</moldb-formula>
  <moldb-inchi>InChI=1S/C47H92NO8P/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48(3)4)56-47(50)40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-2/h16,18,45H,5-15,17,19-44H2,1-4H3,(H,51,52)/b18-16-</moldb-inchi>
  <moldb-inchikey>XEOVEFKNCWCJMQ-VLGSPTGOSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
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  <origin nil="true"/>
  <state nil="true"/>
  <logp>14.6</logp>
  <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>CHEM353629</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[(z)-octadec-11-enoyl]oxypropyl] docosanoate</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>Glycerophospholipids</klass>
  <subklass>Glycerophosphoethanolamines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0307984</sync-id>
  <structure-inchikey>XEOVEFKNCWCJMQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400400000100000004008000000002040000100000000000800000000000000000000000020000000000000000000000000040000000000000000000020000000000000000000000000100000000000000280000040007000000004000000000010000200110000000000000002040008000000000000000000008010000000000000000400000000000000000000100001000000000000020000000000010000000200000000000000800000020010000000000c8000000000000000000000000000208000000000000100000000000000000000000080000000010000000000000000000020000000000000000010400000001000000000000000000000000</structure-fingerprint>
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  <structure-pickle>ï¾­Þ����������������9���8���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`������� ������ ������(�������`������� ������`�������`������� ������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������h��������h��������`�������`�������`�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:55:28Z</structure-indexed-at>
</compound>
