<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">357260</id>
  <title nil="true"/>
  <common-name>[3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-[(5z,8z,11z)-icosa-5,8,11-trienoyl]oxypropyl] (5z,8z,11z)-icosa-5,8,11-trienoate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>131820493</pubchem-id>
  <chemical-formula>C46H80NO8P</chemical-formula>
  <weight>806.1</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">2026-09-01T04:18:05Z</created-at>
  <updated-at type="dateTime">2026-09-01T04:18:05Z</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=CCC=CCC=CCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCC=CCC=CCC=CCCCCCCCC</moldb-smiles>
  <moldb-formula>C46H80NO8P</moldb-formula>
  <moldb-inchi>InChI=1S/C46H80NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47-3)55-46(49)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,24-27,30-33,44,47H,4-17,22-23,28-29,34-43H2,1-3H3,(H,50,51)/b20-18-,21-19-,26-24-,27-25-,32-30-,33-31-</moldb-inchi>
  <moldb-inchikey>QYVOFPVSMKIECG-MVPLSLPNSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">805.5621555</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>10.5</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM353153</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-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-[(5z,8z,11z)-icosa-5,8,11-trienoyl]oxypropyl] (5z,8z,11z)-icosa-5,8,11-trienoate</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>CED0307508</sync-id>
  <structure-inchikey>QYVOFPVSMKIECG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400480000000000004008000000002040000100000000000800000002000000000000000020000000000000000000000000040000000000000000000020000000000000000000000000100000000000400200010040003000000004000000000010000200110000000000000002000008000000000000000000008010000000000000000400000000000000000000100800000000010000020000000000000000000000000000000000800000020010000000200c8000000000000000000000000000208000000000000100000000000020000000000080000020010000000000000000000020000000040000000010400000000000000000010000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������8���7���€���`�������`�������`�������`�������`�������`�������`�������`�������h��������h��������`�������h��������h��������`�������h��������h��������`�������`�������`�������(�������(�������(�������`�������`�������`������� ������ ������(�������`������� ������`�������`�������`�������`�������(�������(�������(�������`�������`�������`�������h��������h��������`�������h��������h��������`�������h��������h��������`�������`�������`�������`�������`�������`�������`�������`�������������������������������	��	
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  <structure-indexed-at type="dateTime">2026-09-19T05:55:01Z</structure-indexed-at>
</compound>
