<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">357366</id>
  <title nil="true"/>
  <common-name>2-[hydroxy-[(2r)-2-[(5z,8z,14z)-icosa-5,8,14-trienoyl]oxy-3-octadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium</common-name>
  <description>2-[hydroxy-[(2r)-2-[(5z,8z,14z)-icosa-5,8,14-trienoyl]oxy-3-octadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium is a chemical compound with the formula C46H87NO8P+. With an average molecular weight of 813.20 g/mol, 2-[hydroxy-[(2r)-2-[(5z,8z,14z)-icosa-5,8,14-trienoyl]oxy-3-octadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>5313383</pubchem-id>
  <chemical-formula>C46H87NO8P+</chemical-formula>
  <weight>813.2</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">2026-09-01T04:26:08Z</created-at>
  <updated-at type="dateTime">2026-09-01T04:26:08Z</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>CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC=CCC=CCCCCC=CCCCCC</moldb-smiles>
  <moldb-formula>C46H87NO8P+</moldb-formula>
  <moldb-inchi>InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,25,27,31,33,44H,6-13,15,17-24,26,28-30,32,34-43H2,1-5H3/p+1/b16-14-,27-25-,33-31-/t44-/m1/s1</moldb-inchi>
  <moldb-inchikey>UIZSCWYWQVXNRL-JUGVZLPZSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">812.6169307</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>14.2</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>CHEM353259</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-[(2r)-2-[(5z,8z,14z)-icosa-5,8,14-trienoyl]oxy-3-octadecanoyloxypropoxy]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>CED0307614</sync-id>
  <structure-inchikey>UIZSCWYWQVXNRL-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>400400000000000004008000000002040000100000000000800000000000000000000000020000010000000000000000000040020000000000000000020000000000000000000000100100000000080400200000040003000000004000000000010000200110000000000000002000008000400000000000000008010000000000200000400000000000000000000100000000000010000020000000000010000000000000000000000880000020010000000000c8000000000000000000000000000208000000000000100000000000020000000000080000000010000000000000000000020000000040000000010400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������8���7���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`������� ������ ������(�������`������� ������`�������`������ "�������`�������`�������`�������(�������(�������(�������`�������`�������`�������h��������h��������`�������h��������h��������`�������`�������`�������`�������h��������h��������`�������`�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:55:09Z</structure-indexed-at>
</compound>
