| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:47:55 UTC |
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| Update Date | 2025-03-25 01:34:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02450773 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H27Cl2F3N5O17P5S2 |
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| Molecular Mass | 918.8861 |
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| SMILES | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)C(O)C1O |
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| InChI Key | AOULNEMZWUYOOD-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 chloridesalkyl fluoridesalkylarylthioethersazacyclic compoundsbisphosphonatesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganic phosphitesorganic phosphoric acids and derivativesorganochloridesorganofluoridesorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofurans |
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| Substituents | alkyl chlorideorganochloridemonosaccharideimidazopyrimidinealkylarylthioetherorganosulfur compoundorganohalogen compoundaryl thioetherpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganophosphorus compoundalkyl halideimidolactamorganophosphonic acid derivativeorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholorganic phosphitebisphosphonatesulfenyl compoundazacycletetrahydrofuranalkyl fluorideorganofluoridedialkylthioetherpurine nucleosideheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativeorganooxygen compoundamine |
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