<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">355558</id>
  <title nil="true"/>
  <common-name>2-[[(2r)-2,3-bis[(z)-hexadec-1-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium</common-name>
  <description>2-[[(2r)-2,3-bis[(z)-hexadec-1-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium is a compound with the formula C40H81NO6P+. With an average molecular weight of 703.00 g/mol, 2-[[(2r)-2,3-bis[(z)-hexadec-1-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>100923097</pubchem-id>
  <chemical-formula>C40H81NO6P+</chemical-formula>
  <weight>703</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">2026-09-01T00:13:51Z</created-at>
  <updated-at type="dateTime">2026-09-01T00:13:51Z</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>CCCCCCCCCCCCCCC=COCC(COP(=O)(O)OCC[N+](C)(C)C)OC=CCCCCCCCCCCCCCC</moldb-smiles>
  <moldb-formula>C40H81NO6P+</moldb-formula>
  <moldb-inchi>InChI=1S/C40H80NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-44-38-40(39-47-48(42,43)46-37-34-41(3,4)5)45-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h32-33,35-36,40H,6-31,34,37-39H2,1-5H3/p+1/b35-32-,36-33-/t40-/m1/s1</moldb-inchi>
  <moldb-inchikey>VKQPPRFFLYKMPX-JIRBQVQQSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">702.5801513</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>14.6</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>CHEM351451</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)-hexadec-1-enoxy]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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0305810</sync-id>
  <structure-inchikey>VKQPPRFFLYKMPX-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>40040000000000000000800000000204000000000000000080000000000000000000000002000001000000000200000000004002000000000000000002000000000000000000000010010000000018000020000000000300000000000000000001000420011004000000000000200400800040000800000000000800000000000020000040000000000000000000010000000000000002000000000000000000000000000000000000088000000000000000000088000000000000000000000000000200000000000000000000000008000000000000080000000000000000000000000000020000000000000000010000080000000000000000200000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������0���/���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������h��������h��������(�������`�������`�������`������� ������ ������(�������`������� ������`�������`������ "�������`�������`�������`�������(�������h��������h��������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:53:28Z</structure-indexed-at>
</compound>
