| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:36 UTC |
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| Update Date | 2025-03-21 18:34:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099495 |
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| Frequency | 27.6 |
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| Structure | |
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| Chemical Formula | C15H19F3N5O6PS2 |
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| Molecular Mass | 517.0466 |
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| SMILES | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC2OP(=O)(O)OC2C1O |
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| InChI Key | BZFOAHFBPYYRER-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 compoundsdialkylthioethersdioxaphospholanesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganic phosphoric acids and derivativesorganofluoridesorganopnictogen compoundsoxacyclic compoundspyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofurans |
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| Substituents | monosaccharidealkylarylthioetherorganosulfur compoundorganohalogen compoundaryl thioetherpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideimidolactamazolen-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofuranalkyl fluorideorganofluoridedialkylthioetherheteroaromatic compound1,3_dioxaphospholanesecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativeorganooxygen compoundamine |
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