| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:54 UTC |
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| Update Date | 2025-03-21 18:05:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057190 |
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| Frequency | 83.2 |
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| Structure | |
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| Chemical Formula | C11H15N5O4S |
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| Molecular Mass | 313.0845 |
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| SMILES | CSCC1OC(n2cnc3nc(N)[nH]c(=O)c32)C(O)C1O |
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| InChI Key | PWHJYYQSJSMQNM-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-diolsazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonosaccharidesn-substituted imidazolesnucleoside and nucleotide analoguesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminespurines and purine derivativespyrimidonessecondary alcoholssulfenyl compoundstetrahydrofurans |
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| Substituents | lactammonosaccharidepyrimidoneimidazopyrimidineorganosulfur compoundpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofuranpurine nucleosidedialkylthioetherheteroaromatic compoundoxacycleorganic oxygen compoundthioethersecondary alcoholhypoxanthinehydrocarbon derivativeprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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