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  <common-name>S-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2e,7z)-hexadeca-2,7-dienethioate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>91828300</pubchem-id>
  <chemical-formula>C37H62N7O17P3S</chemical-formula>
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  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
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  <route-of-exposure nil="true"/>
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  <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">2026-08-31T22:03:36Z</created-at>
  <updated-at type="dateTime">2026-08-31T22:03:36Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
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  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
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  <drugbank-id nil="true"/>
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  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCCCCCCC=CCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O</moldb-smiles>
  <moldb-formula>C37H62N7O17P3S</moldb-formula>
  <moldb-inchi>InChI=1S/C37H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h11-12,16-17,24-26,30-32,36,47-48H,4-10,13-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b12-11-,17-16+/t26-,30-,31-,32+,36-/m1/s1</moldb-inchi>
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  <moldb-average-mass type="decimal" nil="true"/>
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  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.6</logp>
  <hmdb-id nil="true"/>
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  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM350384</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-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2e,7z)-hexadeca-2,7-dienethioate</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>CED0304773</sync-id>
  <structure-inchikey>YQARRKBGBKPBCX-UHFFFAOYSA-N</structure-inchikey>
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  <structure-pickle>ï¾­Þ����������������A���C���€���`�������`�������`�������`�������`�������`�������`�������`�������h��������h��������`�������`�������`�������h��������h��������(�������(������� ������`�������`�������h��������(�������(�������`�������`�������h��������(�������(�������`������� ������`�������`�������`������� ������ ������(�������`������� ������ ������(�������`������� ������`�������`�������`�������`�������`������� �����@(������@h�������@(������@(������@(������@(������@h�������@(������@(�������h��������`������� ������ ������(�������`�������`�������`�������������������������������	��	
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  <structure-indexed-at type="dateTime">2026-09-19T05:52:26Z</structure-indexed-at>
</compound>
