| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:59 UTC |
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| Update Date | 2025-03-25 00:46:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155806 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H24F3N6O5PS2 |
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| Molecular Mass | 532.0939 |
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| SMILES | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1CC(O)C(COP(N)(=O)O)O1 |
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| InChI Key | UWGONJLYRLPPDE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | imidazopyrimidines |
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| Subclass | purines and purine derivatives |
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| Direct Parent | purines and purine derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesalkylarylthioethersazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganic phosphoramidesorganofluoridesorganopnictogen compoundsoxacyclic compoundsphosphate estersphosphoric monoester monoamidespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofurans |
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| Substituents | monosaccharidealkylarylthioetherorganosulfur compoundorganohalogen compoundaryl thioetherpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideimidolactamorganic phosphoric acid amideazolen-substituted imidazolealcoholphosphoric monoester monoamidesulfenyl compoundazacycletetrahydrofuranalkyl fluorideorganofluoridedialkylthioetherheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundphosphoric acid esterthioethersecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativeorganooxygen compoundamine |
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