| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:37:24 UTC |
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| Update Date | 2025-03-24 20:24:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01436701 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C17H27Cl3F3N5O15P4S2 |
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| Molecular Mass | 890.8913 |
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| SMILES | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O[PH](=O)(Cl)(Cl)C(O)(Cl)P(=O)(O)O)C(O)C1O |
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| InChI Key | VFBHGIPTGQHJBJ-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 | 1,2-diolsalkyl chloridesalkyl fluoridesalkylarylthioethersazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic phosphonic acids and derivativesorganic pyrophosphatesorganochloridesorganofluoridesorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofurans |
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| Substituents | purine ribonucleoside monophosphatealkyl chlorideorganochloridemonosaccharidepentose-5-phosphateimidazopyrimidinearyl thioethersaccharidepurine ribonucleoside diphosphateorganonitrogen compoundorganophosphorus compoundorganophosphonic acid derivativeorganoheterocyclic compound1,2-diolalcoholsulfenyl compoundazacyclealkyl fluoridedialkylthioetherheteroaromatic compoundorganic pyrophosphatesecondary aliphatic/aromatic aminethioethermonoalkyl phosphatehydrocarbon derivativeaminepentose phosphatealkylarylthioetherorganosulfur compoundorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundalkyl halideimidolactamazolen-substituted imidazoletetrahydrofuranorganofluoridesecondary amineoxacycleorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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