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<compound>
  <id type="integer">356307</id>
  <title nil="true"/>
  <common-name>S-[2-[3-[[(2r)-4-[[[(2s,3s,4r,5s)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3s,10z,13z,16z,19z)-3-hydroxydocosa-10,13,16,19-tetraenethioate</common-name>
  <description>S-[2-[3-[[(2r)-4-[[[(2s,3s,4r,5s)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3s,10z,13z,16z,19z)-3-hydroxydocosa-10,13,16,19-tetraenethioate is a chemical compound with the formula C43H70N7O18P3S. With an average molecular weight of 1,098 g/mol, S-[2-[3-[[(2r)-4-[[[(2s,3s,4r,5s)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3s,10z,13z,16z,19z)-3-hydroxydocosa-10,13,16,19-tetraenethioate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>131769886</pubchem-id>
  <chemical-formula>C43H70N7O18P3S</chemical-formula>
  <weight>1098</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">2026-09-01T01:39:56Z</created-at>
  <updated-at type="dateTime">2026-09-01T01:39:56Z</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"/>
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  <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"/>
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  <moldb-formula>C43H70N7O18P3S</moldb-formula>
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  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1097.371091</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.6</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
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  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM352200</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>S-[2-[3-[[(2r)-4-[[[(2s,3s,4r,5s)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3s,10z,13z,16z,19z)-3-hydroxydocosa-10,13,16,19-tetraenethioate</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 acyl thioesters</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0306557</sync-id>
  <structure-inchikey>DALQBBQTVPOKDP-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:54:07Z</structure-indexed-at>
</compound>
