<common-name>S-[2-[3-[[4-[[[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-hydroxyoctadeca-9,12-dienethioate</common-name> <description>S-[2-[3-[[4-[[[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-hydroxyoctadeca-9,12-dienethioate is a chemical compound with the formula C39H66N7O18P3S. With an average molecular weight of 1,046 g/mol, S-[2-[3-[[4-[[[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-hydroxyoctadeca-9,12-dienethioate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>76043726</pubchem-id> <chemical-formula>C39H66N7O18P3S</chemical-formula> <weight>1046</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">2026-08-31T23:14:15Z</created-at> <updated-at type="dateTime">2026-08-31T23:14:15Z</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>CCCCCC=CCC=CCCCCCC(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)O</moldb-smiles> <moldb-formula>C39H66N7O18P3S</moldb-formula> <moldb-inchi>InChI=1S/C39H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h8-9,11-12,25-28,32-34,38,47,50-51H,4-7,10,13-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)</moldb-inchi> <moldb-inchikey>ICMPOMMDSLXBOC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1045.33979</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.2</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>CHEM350939</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-[[4-[[[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-hydroxyoctadeca-9,12-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>CED0305323</sync-id> <structure-inchikey>ICMPOMMDSLXBOC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400400004040080000108000000028000000000000000000a4004000100000000000000002000000000000000210002000804000024000000000000003400020000000000000000440010400209000001020801000040300000000003000400001001020012000000000000100000000000000000900000020000800000000180040000040000000011000000000810080009082101000000000000014400000102000000000000000080000080000000000000088085000000100000000000001000008480004000000000000000000020000008000080808000010000000000000201000020000011040000000010440000002000000000000000400400200</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��D��F��€��`��`��`��`��`��h��h��`��h��h��`��`��`��`��`��`��`��(��(�� `��`��h��(��(��`��`��h��(��(��`�� `��`��`�� (��`�� (��`�� `��`��`��`��`�� @(��@h��@(��@(��@(��@(��@h��@(��@(��h��`�� (��`��`��`��`�� (�� (�� !��"�"#�#$�$%��$&�$'�'(�()��(*�(+�+,�,-�-.�./�/0�01�02�23h�34h�45h�56h�67h�78h�89h�9:h�6; /<�.=�=>�>?��>@�>A��B��C�1-�:2h�:5h�B��-./01�32:54�6789:5��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:53:01Z</structure-indexed-at> </compound>

355046 <common-name>S-[2-[3-[[4-[[[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-hydroxyoctadeca-9,12-dienethioate</common-name> <description>S-[2-[3-[[4-[[[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-hydroxyoctadeca-9,12-dienethioate is a chemical compound with the formula C39H66N7O18P3S. With an average molecular weight of 1,046 g/mol, S-[2-[3-[[4-[[[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-hydroxyoctadeca-9,12-dienethioate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>76043726</pubchem-id> <chemical-formula>C39H66N7O18P3S</chemical-formula> <weight>1046</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">2026-08-31T23:14:15Z</created-at> <updated-at type="dateTime">2026-08-31T23:14:15Z</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>CCCCCC=CCC=CCCCCCC(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)O</moldb-smiles> <moldb-formula>C39H66N7O18P3S</moldb-formula> <moldb-inchi>InChI=1S/C39H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h8-9,11-12,25-28,32-34,38,47,50-51H,4-7,10,13-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)</moldb-inchi> <moldb-inchikey>ICMPOMMDSLXBOC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1045.33979</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.2</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>CHEM350939</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-[[4-[[[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-hydroxyoctadeca-9,12-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>CED0305323</sync-id> <structure-inchikey>ICMPOMMDSLXBOC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400400004040080000108000000028000000000000000000a4004000100000000000000002000000000000000210002000804000024000000000000003400020000000000000000440010400209000001020801000040300000000003000400001001020012000000000000100000000000000000900000020000800000000180040000040000000011000000000810080009082101000000000000014400000102000000000000000080000080000000000000088085000000100000000000001000008480004000000000000000000020000008000080808000010000000000000201000020000011040000000010440000002000000000000000400400200</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��D��F��€��`��`��`��`��`��h��h��`��h��h��`��`��`��`��`��`��`��(��(�� `��`��h��(��(��`��`��h��(��(��`�� `��`��`�� (��`�� (��`�� `��`��`��`��`�� @(��@h��@(��@(��@(��@(��@h��@(��@(��h��`�� (��`��`��`��`�� (�� (�� !��"�"#�#$�$%��$&�$'�'(�()��(*�(+�+,�,-�-.�./�/0�01�02�23h�34h�45h�56h�67h�78h�89h�9:h�6; /<�.=�=>�>?��>@�>A��B��C�1-�:2h�:5h�B��-./01�32:54�6789:5��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:53:01Z</structure-indexed-at> </compound>