| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:52 UTC |
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| Update Date | 2025-03-25 00:56:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217214 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16F3N5O3S |
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| Molecular Mass | 379.0926 |
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| SMILES | Nc1nc(SCCC(F)(F)F)c2ncn(C3CC(O)C(CO)O3)c2n1 |
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| InChI Key | DGOVCASXJYOYKT-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 2'-deoxyribonucleosides |
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| Direct Parent | purine 2'-deoxyribonucleosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesalkylarylthioethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmonosaccharidesn-substituted imidazolesorganofluoridesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compoundstetrahydrofurans |
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| Substituents | monosaccharideimidazopyrimidinealkylarylthioetherorganosulfur compoundorganohalogen compoundaryl thioetherpyrimidinesaccharidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideprimary alcoholpurine 2'-deoxyribonucleosideorganoheterocyclic compoundazolen-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofuranalkyl fluorideorganofluorideheteroaromatic compoundoxacycleorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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