<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] 3-oxo-8-[(1s,2s)-3-oxo-2-[(z)-pent-2-enyl]cyclopentyl]octanethioate</common-name> <description>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] 3-oxo-8-[(1s,2s)-3-oxo-2-[(z)-pent-2-enyl]cyclopentyl]octanethioate is a compound with the formula C39H62N7O19P3S. With an average molecular weight of 1,058 g/mol, 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] 3-oxo-8-[(1s,2s)-3-oxo-2-[(z)-pent-2-enyl]cyclopentyl]octanethioate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>71448911</pubchem-id> <chemical-formula>C39H62N7O19P3S</chemical-formula> <weight>1057.9</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">2026-08-31T23:12:12Z</created-at> <updated-at type="dateTime">2026-08-31T23:12:12Z</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>CCC=CCC1C(CCC1=O)CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O</moldb-smiles> <moldb-formula>C39H62N7O19P3S</moldb-formula> <moldb-inchi>InChI=1S/C39H62N7O19P3S/c1-4-5-7-12-26-24(13-14-27(26)48)10-8-6-9-11-25(47)19-30(50)69-18-17-41-29(49)15-16-42-37(53)34(52)39(2,3)21-62-68(59,60)65-67(57,58)61-20-28-33(64-66(54,55)56)32(51)38(63-28)46-23-45-31-35(40)43-22-44-36(31)46/h5,7,22-24,26,28,32-34,38,51-52H,4,6,8-21H2,1-3H3,(H,41,49)(H,42,53)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/b7-5-/t24-,26-,28+,32+,33+,34-,38+/m0/s1</moldb-inchi> <moldb-inchikey>YYCCMACTOAJGGW-OZVHGMPNSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1057.303405</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2</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>CHEM350922</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] 3-oxo-8-[(1s,2s)-3-oxo-2-[(z)-pent-2-enyl]cyclopentyl]octanethioate</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>CED0305306</sync-id> <structure-inchikey>YYCCMACTOAJGGW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400400004040080000108000000028000002000000020000a40040003400000000000000020000200002000002102020008000000642001000000000034000200000000000000004400004002000000010208010000003000000000020044000000010080120000080000001000000001000002209000000200008000000001800400000400000000110000000028100800098821000000000000000144010008000000000040000200800000800000000000080000a5000000100000000000001000008480004000000000000000000000000008000080808200000000000000000201000020000001040000000010440000002200000000000001400400000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��E��H��€��`��`��h��h��`��`��`��`��`��(��(��`��`��`��`��`��(��(��`��(��(�� `��`��h��(��(��`��`��h��(��(��`�� `��`��`�� (��`�� (��`�� `��`��`��`��`�� @(��@h��@(��@(��@(��@(��@h��@(��@(��h��`�� (��`��`��`�� (�� (�� !�!"�!#�!$�$%�%&�&'��&(�&)�)*�*+��*,�*-�-.�./�/0�01�12�23�24�45h�56h�67h�78h�89h�9:h�:;h�;<h�8= 1>�0?�?@�@A��@B�@C� D� ��3/�<4h�<7h�B�� 0/321�54<76�89:;<7��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:53:00Z</structure-indexed-at> </compound>

355029 <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] 3-oxo-8-[(1s,2s)-3-oxo-2-[(z)-pent-2-enyl]cyclopentyl]octanethioate</common-name> <description>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] 3-oxo-8-[(1s,2s)-3-oxo-2-[(z)-pent-2-enyl]cyclopentyl]octanethioate is a compound with the formula C39H62N7O19P3S. With an average molecular weight of 1,058 g/mol, 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] 3-oxo-8-[(1s,2s)-3-oxo-2-[(z)-pent-2-enyl]cyclopentyl]octanethioate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>71448911</pubchem-id> <chemical-formula>C39H62N7O19P3S</chemical-formula> <weight>1057.9</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">2026-08-31T23:12:12Z</created-at> <updated-at type="dateTime">2026-08-31T23:12:12Z</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>CCC=CCC1C(CCC1=O)CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O</moldb-smiles> <moldb-formula>C39H62N7O19P3S</moldb-formula> <moldb-inchi>InChI=1S/C39H62N7O19P3S/c1-4-5-7-12-26-24(13-14-27(26)48)10-8-6-9-11-25(47)19-30(50)69-18-17-41-29(49)15-16-42-37(53)34(52)39(2,3)21-62-68(59,60)65-67(57,58)61-20-28-33(64-66(54,55)56)32(51)38(63-28)46-23-45-31-35(40)43-22-44-36(31)46/h5,7,22-24,26,28,32-34,38,51-52H,4,6,8-21H2,1-3H3,(H,41,49)(H,42,53)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/b7-5-/t24-,26-,28+,32+,33+,34-,38+/m0/s1</moldb-inchi> <moldb-inchikey>YYCCMACTOAJGGW-OZVHGMPNSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1057.303405</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2</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>CHEM350922</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] 3-oxo-8-[(1s,2s)-3-oxo-2-[(z)-pent-2-enyl]cyclopentyl]octanethioate</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 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<structure-indexed-at type="dateTime">2026-09-19T05:53:00Z</structure-indexed-at> </compound>