<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">351873</id>
  <title nil="true"/>
  <common-name>2-[[(2r)-3-heptanoyloxy-2-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium</common-name>
  <description>2-[[(2r)-3-heptanoyloxy-2-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium is a compound with the formula C31H63NO8P+. With an average molecular weight of 608.80 g/mol, 2-[[(2r)-3-heptanoyloxy-2-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>129626766</pubchem-id>
  <chemical-formula>C31H63NO8P+</chemical-formula>
  <weight>608.8</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">2026-08-31T17:50:58Z</created-at>
  <updated-at type="dateTime">2026-08-31T17:50:58Z</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>CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCC)COP(=O)(O)OCC[N+](C)(C)C</moldb-smiles>
  <moldb-formula>C31H63NO8P+</moldb-formula>
  <moldb-inchi>InChI=1S/C31H62NO8P/c1-6-8-10-12-13-14-15-16-17-18-19-20-22-24-31(34)40-29(27-37-30(33)23-21-11-9-7-2)28-39-41(35,36)38-26-25-32(3,4)5/h29H,6-28H2,1-5H3/p+1/t29-/m1/s1</moldb-inchi>
  <moldb-inchikey>DGIVTKVYWNNXNU-GDLZYMKVSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">608.42913</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>8.7</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>CHEM347766</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)-3-heptanoyloxy-2-hexadecanoyloxypropoxy]-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>CED0302171</sync-id>
  <structure-inchikey>DGIVTKVYWNNXNU-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>40040000000000000400800000000204000010000000000080000000000000000000000002000001000000000000000000000002000000000000000002000000000000000000000010010000000008000020000004000100000000400000000000000020011000000000000000200000800040000000000000000801000000000020000040000000000000000000010000000000000000002000000000001000000000000000000000008000002001000000000048000000000000000000000000000208000000000000100000000000000000000000080000000000000000000000000000020000000000000000010400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������)���(���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`������� ������ ������(�������`������� ������`�������`������ "�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:49:44Z</structure-indexed-at>
</compound>
