| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:16:17 UTC |
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| Update Date | 2025-03-25 00:38:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02100545 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C25H35F3N7O18P3S2 |
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| Molecular Mass | 935.0645 |
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| SMILES | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(OP(=O)(O)O)C2O)C(O)C1O |
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| InChI Key | ISYMWVLVYOLILY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | purine nucleotides |
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| Subclass | purine ribonucleotides |
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| Direct Parent | purine ribonucleoside diphosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesalkylarylthioethersazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganofluoridesorganopnictogen compoundsoxacyclic compoundspentose phosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidine nucleosidespyrimidine ribonucleoside 2',5'-bisphosphatespyrimidonessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofuransvinylogous amides |
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| Substituents | lactampurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinearyl thioetherpyrimidine ribonucleoside 2',5'-bisphosphatesaccharidepurine ribonucleoside diphosphateorganonitrogen compoundorganoheterocyclic compoundalcoholvinylogous amidesulfenyl compoundazacyclealkyl fluoridedialkylthioetherheteroaromatic compoundorganic pyrophosphatesecondary aliphatic/aromatic aminethioethermonoalkyl phosphatehydrocarbon derivativeaminepentose phosphatepyrimidonealkylarylthioetherorganosulfur compoundorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundalkyl halidepyrimidine nucleosideimidolactamazolen-substituted imidazolecarbonic acid derivativetetrahydrofuranorganofluoridesecondary amineoxacycleorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundpyrimidine ribonucleoside bisphosphate |
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