<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">362628</id>
  <title nil="true"/>
  <common-name>2-[4-[2-[3-[bis(2-hydroxyoctadeca-9,12-dienyl)amino]propyldisulfanyl]ethyl]piperazin-1-yl]ethyl 5-[bis(2-hydroxytetradecyl)amino]pentanoate</common-name>
  <description>2-[4-[2-[3-[bis(2-hydroxyoctadeca-9,12-dienyl)amino]propyldisulfanyl]ethyl]piperazin-1-yl]ethyl 5-[bis(2-hydroxytetradecyl)amino]pentanoate is a chemical compound with the formula C80H154N4O6S2. With an average molecular weight of 1,332 g/mol, 2-[4-[2-[3-[bis(2-hydroxyoctadeca-9,12-dienyl)amino]propyldisulfanyl]ethyl]piperazin-1-yl]ethyl 5-[bis(2-hydroxytetradecyl)amino]pentanoate is a heavy molecule.</description>
  <cas>946870-92-4</cas>
  <pubchem-id>168009904</pubchem-id>
  <chemical-formula>C80H154N4O6S2</chemical-formula>
  <weight>1332.2</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">2026-09-01T11:59:11Z</created-at>
  <updated-at type="dateTime">2026-09-01T11:59:11Z</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>CCCCCCCCCCCCC(CN(CCCCC(=O)OCCN1CCN(CC1)CCSSCCCN(CC(CCCCCCC=CCC=CCCCCC)O)CC(CCCCCCC=CCC=CCCCCC)O)CC(CCCCCCCCCCCC)O)O</moldb-smiles>
  <moldb-formula>C80H154N4O6S2</moldb-formula>
  <moldb-inchi>InChI=1S/C80H154N4O6S2/c1-5-9-13-17-21-25-29-31-33-35-39-43-47-51-58-78(87)74-84(75-79(88)59-52-48-44-40-36-34-32-30-26-22-18-14-10-6-2)62-55-70-91-92-71-68-82-65-63-81(64-66-82)67-69-90-80(89)60-53-54-61-83(72-76(85)56-49-45-41-37-27-23-19-15-11-7-3)73-77(86)57-50-46-42-38-28-24-20-16-12-8-4/h21-22,25-26,31-34,76-79,85-88H,5-20,23-24,27-30,35-75H2,1-4H3</moldb-inchi>
  <moldb-inchikey>CRZOPHSORDIMRX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1331.130981</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>24.9</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>CHEM358521</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-[4-[2-[3-[bis(2-hydroxyoctadeca-9,12-dienyl)amino]propyldisulfanyl]ethyl]piperazin-1-yl]ethyl 5-[bis(2-hydroxytetradecyl)amino]pentanoate</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>Fatty Acyls</klass>
  <subklass>Fatty acid esters</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0312689</sync-id>
  <structure-inchikey>CRZOPHSORDIMRX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4004000000000000002180000000080000001000000000000000000010000010000002000200000000000000000000000000400000000000000000000000000010000400800000000001000000100000002000000400030000000000100000000100002001000000000000000000400000000002010000000201000000000000802000004000000000000000000001400000000200100000000000000000100010010000000000000008000000200100000010008800000000a000000000000000200008000400000000000000000000060000000000000000000010000000010000000000000000080040000000010400000001000000000000000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������\���\���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`������� ������`�������`�������`�������`�������(�������(�������(�������`�������`������� ������`�������`������� ������`�������`�������`�������`������� ������ ������`�������`�������`������� ������`�������`�������`�������`�������`�������`�������`�������`�������h��������h��������`�������h��������h��������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������h��������h��������`�������h��������h��������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������������������������������	�	
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��������������������������(��� ������������������������������� � !�!"�"#�#$�$%�%&amp;�&amp;'�'(�()�)*�*+�+,�,-�-.�./��/0�01�12��23�34�45�56�67�'8�%9�9:�:;�;&lt;�&lt;=�=&gt;�&gt;?�?@�@A�AB��BC�CD�DE��EF�FG�GH�HI�IJ�:K��L�LM�MN�NO�OP�PQ�QR�RS�ST�TU�UV�VW�WX�XY�MZ��[����B���������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:59:35Z</structure-indexed-at>
</compound>
