| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:47 UTC |
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| Update Date | 2025-03-21 17:58:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017063 |
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| Frequency | 256.6 |
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| Structure | |
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| Chemical Formula | C10H13N5O8S |
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| Molecular Mass | 363.0485 |
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| SMILES | Nc1nc2c(ncn2C2OC(COS(=O)(=O)O)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | NAAAVEJZEVEAMU-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 sulfatesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminespurines and purine derivativespyrimidonessecondary alcoholssulfuric acid monoesterstetrahydrofuransvinylogous amides |
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| Substituents | sulfuric acid monoesterlactammonosaccharidepyrimidoneimidazopyrimidinepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazolealkyl sulfateorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholvinylogous amideorganic sulfuric acid or derivativesazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhypoxanthinesulfate-esterhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
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