<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">356710</id>
  <title nil="true"/>
  <common-name>2-[[(2r)-2,3-bis[[(z)-octadec-10-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium</common-name>
  <description>2-[[(2r)-2,3-bis[[(z)-octadec-10-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium has the chemical formula C44H85NO8P+. With an average molecular weight of 787.10 g/mol, 2-[[(2r)-2,3-bis[[(z)-octadec-10-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>5313421</pubchem-id>
  <chemical-formula>C44H85NO8P+</chemical-formula>
  <weight>787.1</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">2026-09-01T03:12:16Z</created-at>
  <updated-at type="dateTime">2026-09-01T03:12:16Z</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>CCCCCCCC=CCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC=CCCCCCCC</moldb-smiles>
  <moldb-formula>C44H85NO8P+</moldb-formula>
  <moldb-inchi>InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h18-21,42H,6-17,22-41H2,1-5H3/p+1/b20-18-,21-19-/t42-/m1/s1</moldb-inchi>
  <moldb-inchikey>ASKAFYPATPMUAD-PMXUJQMFSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">786.6012807</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>13.8</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>CHEM352603</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-[[(2r)-2,3-bis[[(z)-octadec-10-enoyl]oxy]propoxy]-hydroxyphosphoryl]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>CED0306960</sync-id>
  <structure-inchikey>ASKAFYPATPMUAD-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>400400000000000004008000000002040000100000000000800000000000000000000000020000010000000000000000000040020000000000000000020000000000000000000000100100000000080000200000040003000000004000000000010000200110000000000000002000008000400000000000000008010000000000200000400000000000000000000100000000000000000020000000000010000000000000000000000880000020010000000000c8000000000000000000000000000208000000000000100000000000000000000000080000000010000000000000000000020000000000000000010400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������6���5���€���`�������`�������`�������`�������`�������`�������`�������h��������h��������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`������� ������ ������(�������`������� ������`�������`������ "�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������h��������h��������`�������`�������`�������`�������`�������`�������`��������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:54:31Z</structure-indexed-at>
</compound>
