<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">357370</id>
  <title nil="true"/>
  <common-name>2-[hydroxy-[3-[(11z,14z)-icosa-11,14-dienoyl]oxy-2-[(z)-octadec-1-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium</common-name>
  <description>2-[hydroxy-[3-[(11z,14z)-icosa-11,14-dienoyl]oxy-2-[(z)-octadec-1-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium is a compound with the formula C46H89NO7P+. With an average molecular weight of 799.20 g/mol, 2-[hydroxy-[3-[(11z,14z)-icosa-11,14-dienoyl]oxy-2-[(z)-octadec-1-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>53478938</pubchem-id>
  <chemical-formula>C46H89NO7P+</chemical-formula>
  <weight>799.2</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">2026-09-01T04:26:27Z</created-at>
  <updated-at type="dateTime">2026-09-01T04:26:27Z</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>CCCCCCCCCCCCCCCCC=COC(COC(=O)CCCCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC[N+](C)(C)C</moldb-smiles>
  <moldb-formula>C46H89NO7P+</moldb-formula>
  <moldb-inchi>InChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)52-43-45(44-54-55(49,50)53-42-40-47(3,4)5)51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,38,41,45H,6-13,15,17-19,21,23-37,39-40,42-44H2,1-5H3/p+1/b16-14-,22-20-,41-38-</moldb-inchi>
  <moldb-inchikey>RJILJBISCAHOKR-RIFWRQLLSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">798.6376662</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>15.7</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>CHEM353263</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>2-[hydroxy-[3-[(11z,14z)-icosa-11,14-dienoyl]oxy-2-[(z)-octadec-1-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium</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>Glycerophosphocholines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0307618</sync-id>
  <structure-inchikey>RJILJBISCAHOKR-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>40040000000000000000800000000204000010000000000080000000000000000000000002000001000000000000000000004002000000000000000002000000000000000000000010010000000018000020000004000300000000400000000001000420011000000000000000200000800040000800000000000801000000000020000040000000000000000000010000000000001002000000000000001000000000000000000000088000002001000000000088000000000000000000000000000208000000000000000000000008020000000000080000000010000000000000000000020000000040000000010400000000000000000000200000000000</structure-fingerprint>
  <structure-pattern-fingerprint>5000802005120e00c9c011008138a2000800041080052060013800408220e84c6442005001800000000041200080000006600a85008c10250144653900a24000c611040108801700009010e00072090000040480402108b340000462440009200c30012a0048022040080000d5f40044608480500105e104b118000002500002504408080ee0800a08030250c82c0008311c181244409c0a50040b2060408480024310130090c03008040860016d35104ac000408801080010000a30c0400202ac1000a41489112210800402640142980800000002004040096030000800020480204d1008810900130804010812208600500030c0c2840c1001810050080002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������7���6���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������h��������h��������(�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������h��������h��������`�������h��������h��������`�������`�������`�������`�������`�������`������� ������ ������(�������`������� ������`�������`������ "�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:55:09Z</structure-indexed-at>
</compound>
