<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">358785</id>
  <title nil="true"/>
  <common-name>2-[[2-[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyloxy]-3-[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium</common-name>
  <description>2-[[2-[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyloxy]-3-[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium is a chemical compound with the formula C50H89NO10P+. With an average molecular weight of 895.20 g/mol, 2-[[2-[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyloxy]-3-[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>131770063</pubchem-id>
  <chemical-formula>C50H89NO10P+</chemical-formula>
  <weight>895.2</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">2026-09-01T06:36:51Z</created-at>
  <updated-at type="dateTime">2026-09-01T06:36:51Z</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>CCCCCC1=C(C(=C(O1)CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C(=C(O2)CCC)C)C)COP(=O)(O)OCC[N+](C)(C)C)C)C</moldb-smiles>
  <moldb-formula>C50H89NO10P+</moldb-formula>
  <moldb-inchi>InChI=1S/C50H88NO10P/c1-10-12-25-31-46-42(5)43(6)48(61-46)33-27-22-18-14-16-20-24-29-35-50(53)59-44(39-58-62(54,55)57-37-36-51(7,8)9)38-56-49(52)34-28-23-19-15-13-17-21-26-32-47-41(4)40(3)45(60-47)30-11-2/h44H,10-39H2,1-9H3/p+1</moldb-inchi>
  <moldb-inchikey>MUWHBDDKJLZBRU-UHFFFAOYSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">894.62241</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>13.7</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>CHEM354678</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-[[2-[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyloxy]-3-[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyloxy]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>CED0309002</sync-id>
  <structure-inchikey>MUWHBDDKJLZBRU-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>40040000000000000400800000000204000010000000000080000000000000080000000002000001000000000000000000000002000000000000000002000000100000000000000010010000000008000020800004000100000000400000008000000020011000000000000000200000800040000000008000000801000000000020000040000200000000000000010000000000800400002000001000001000000000000000000000008000082001000000000048000000000000000000000000000208000008000800100000000000000000000000082200000000000000000000000000020000000000000000010400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������&gt;���?���€���`�������`�������`�������`�������`������@(������@(������@(������@(������@(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`������@(������@(������@(������@(������@(�������`�������`�������`�������`�������`�������`������� ������ ������(�������`������� ������`�������`������ "�������`�������`�������`�������`�������`�����������������������h���h���h��	h��
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�����������������������������(��� ����������� ��(�������������� � !�!"�"#�#$�$%�%&amp;�&amp;'h�'(h�()h�)*h�)+�+,�,-�(.�'/��0�01�12�23��24�25�56�67�78�89�8:�8;��&lt;��=�	�h�*&amp;h�B���������	�'&amp;*)(����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:56:24Z</structure-indexed-at>
</compound>
