| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:03 UTC |
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| Update Date | 2025-03-25 00:54:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203631 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N4O6S |
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| Molecular Mass | 356.0791 |
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| SMILES | O=C(O)CCSc1nc(O)c2ncn(C3CC(O)C(CO)O3)c2n1 |
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| InChI Key | PUAKPIMZDYFZQT-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 | alkylarylthioethersazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyrimidinesimidazolesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurines and purine derivativessecondary alcoholssulfenyl compoundstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidmonosaccharidehydroxypyrimidineimidazopyrimidinealkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholpurine 2'-deoxyribonucleosideorganoheterocyclic compoundazolen-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compound |
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