<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] (4r)-4-[(5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanethioate</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] (4r)-4-[(5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanethioate has the chemical formula C45H72N7O18P3S. With an average molecular weight of 1,124 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] (4r)-4-[(5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanethioate is a heavy molecule.</description> <cas>1569549-12-7</cas> <pubchem-id>126843491</pubchem-id> <chemical-formula>C45H72N7O18P3S</chemical-formula> <weight>1124.1</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">2026-09-01T03:46:27Z</created-at> <updated-at type="dateTime">2026-09-01T03:46:27Z</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>CC(CCC(=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)C4CCC5C4(CCC6C5CCC7C6(CCC(=O)C7)C)C</moldb-smiles> <moldb-formula>C45H72N7O18P3S</moldb-formula> <moldb-inchi>InChI=1S/C45H72N7O18P3S/c1-25(29-9-10-30-28-8-7-26-20-27(53)12-15-44(26,4)31(28)13-16-45(29,30)5)6-11-34(55)74-19-18-47-33(54)14-17-48-41(58)38(57)43(2,3)22-67-73(64,65)70-72(62,63)66-21-32-37(69-71(59,60)61)36(56)42(68-32)52-24-51-35-39(46)49-23-50-40(35)52/h23-26,28-32,36-38,42,56-57H,6-22H2,1-5H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/t25-,26-,28+,29-,30+,31+,32-,36-,37-,38+,42-,44+,45-/m1/s1</moldb-inchi> <moldb-inchikey>URZYEVFFDFMJGU-BEVXJUHISA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1123.386741</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.4</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>CHEM352756</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] (4r)-4-[(5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanethioate</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>CED0307113</sync-id> <structure-inchikey>URZYEVFFDFMJGU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>408400046040080018108000004028000000800000000000a40040005100100000000010000000200000000002100020008000000240000000000008034000200120c0000000200440000400200200001020801000000100000000003000400000001000012000000000000100000000000000020900000020000800000000180040000048000000011000000000800080209082100800000000000014400020000000000004000000000000080000000000000000085000040100000000000001001008480004000000000000001000000000048000080808200000400000000000a01000020000001040000000010440000003000000080000000400400000</structure-fingerprint> <structure-pattern-fingerprint>7536e6f08732e678e9fe5be583fab299db1014bab5d7a070853d60f6cb34ebcc7ce2295313a4046c8f4a492804cd21681fe00b34f08f723533ff7d79e2ea4116cf11dccd5bb0172192d013c21af32f406844c5d171611fb7531e7f625423dff7cde865af186c323064efc690dff4804d78c69272b15deda6b95b6e71e3d11b87d4ee39994efca66a1c1703d6ceac56a83b1dda764563beaa74231fa562c0cfe5d7d7139319b2d3b20b864d6e877d35d64ed90cc3a94d0ad078b44ab0ece21257af1112b4f5ffd7bb5dc1ede7771742990d6569b4236c70738d797f8e6e09734e93386df4188bdb3dd36c2451d916a0ae4e5517b5d0e2878f13199f82fe0a2e4f</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��J��P��€��`��`��`��`��(��(�� `��`��h��(��(��`��`��h��(��(��`�� `��`��`�� (��`�� (��`�� `��`��`��`��`�� @(��@h��@(��@(��@(��@(��@h��@(��@(��h��`�� (��`��`��`��`��`��`��`�� `��`��`��`��`��`��`�� `��`��(��(��`��`��`�� (� �� (�� !�!"�"#�#$�#%�%&h�&'h�'(h�()h�)*h�*+h�+,h�,-h�). "/�!0�01�12��13�14��5��6�67�78�89�9:�:;�;<�<=�=>�>?�?@�@A�AB�BC�CD�DE�EF��EG�BH�:I�$ �-%h�-(h�:6�>9�B=�GA�B��! $#"�&%-('�)*+,-(�76:98�;<=>9:�?@AB=>�CDEGAB��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:54:40Z</structure-indexed-at> </compound>

356863 <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] (4r)-4-[(5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanethioate</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] (4r)-4-[(5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanethioate has the chemical formula C45H72N7O18P3S. With an average molecular weight of 1,124 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] (4r)-4-[(5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanethioate is a heavy molecule.</description> <cas>1569549-12-7</cas> <pubchem-id>126843491</pubchem-id> <chemical-formula>C45H72N7O18P3S</chemical-formula> <weight>1124.1</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">2026-09-01T03:46:27Z</created-at> <updated-at type="dateTime">2026-09-01T03:46:27Z</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>CC(CCC(=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)C4CCC5C4(CCC6C5CCC7C6(CCC(=O)C7)C)C</moldb-smiles> <moldb-formula>C45H72N7O18P3S</moldb-formula> <moldb-inchi>InChI=1S/C45H72N7O18P3S/c1-25(29-9-10-30-28-8-7-26-20-27(53)12-15-44(26,4)31(28)13-16-45(29,30)5)6-11-34(55)74-19-18-47-33(54)14-17-48-41(58)38(57)43(2,3)22-67-73(64,65)70-72(62,63)66-21-32-37(69-71(59,60)61)36(56)42(68-32)52-24-51-35-39(46)49-23-50-40(35)52/h23-26,28-32,36-38,42,56-57H,6-22H2,1-5H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/t25-,26-,28+,29-,30+,31+,32-,36-,37-,38+,42-,44+,45-/m1/s1</moldb-inchi> <moldb-inchikey>URZYEVFFDFMJGU-BEVXJUHISA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1123.386741</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.4</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>CHEM352756</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] (4r)-4-[(5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanethioate</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>CED0307113</sync-id> <structure-inchikey>URZYEVFFDFMJGU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>408400046040080018108000004028000000800000000000a40040005100100000000010000000200000000002100020008000000240000000000008034000200120c0000000200440000400200200001020801000000100000000003000400000001000012000000000000100000000000000020900000020000800000000180040000048000000011000000000800080209082100800000000000014400020000000000004000000000000080000000000000000085000040100000000000001001008480004000000000000001000000000048000080808200000400000000000a01000020000001040000000010440000003000000080000000400400000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��J��P��€��`��`��`��`��(��(�� `��`��h��(��(��`��`��h��(��(��`�� `��`��`�� (��`�� (��`�� `��`��`��`��`�� @(��@h��@(��@(��@(��@(��@h��@(��@(��h��`�� (��`��`��`��`��`��`��`�� `��`��`��`��`��`��`�� `��`��(��(��`��`��`�� (� �� (�� !�!"�"#�#$�#%�%&h�&'h�'(h�()h�)*h�*+h�+,h�,-h�). "/�!0�01�12��13�14��5��6�67�78�89�9:�:;�;<�<=�=>�>?�?@�@A�AB�BC�CD�DE�EF��EG�BH�:I�$ �-%h�-(h�:6�>9�B=�GA�B��! $#"�&%-('�)*+,-(�76:98�;<=>9:�?@AB=>�CDEGAB��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:54:40Z</structure-indexed-at> </compound>