| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:33 UTC |
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| Update Date | 2025-03-21 18:39:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123583 |
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| Frequency | 20.9 |
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| Structure | |
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| Chemical Formula | C16H24F3N5O9P2S2 |
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| Molecular Mass | 613.0443 |
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| SMILES | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(CO[PH](=O)OP(=O)(O)O)C(O)C1O |
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| InChI Key | RGGGUHLKDNQARO-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 nucleosides |
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| Subclass | purine nucleosides |
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| Direct Parent | purine nucleosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl fluoridesalkylarylthioethersazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compoundsphosphate esterspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofurans |
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| Substituents | monosaccharideimidazopyrimidinealkylarylthioetherorganosulfur compoundorganohalogen compoundaryl thioetherpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideimidolactamorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofuranalkyl fluorideorganofluoridedialkylthioetherpurine nucleosideheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundphosphoric acid esterthioethersecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativeorganooxygen compoundamine |
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