| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:04 UTC |
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| Update Date | 2025-03-25 00:57:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222318 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17N5O4S |
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| Molecular Mass | 339.1001 |
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| SMILES | OCC1OC(n2cnc3c(N4CCSC4)ncnc32)C(O)C1O |
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| InChI Key | JQWDVLQQBXYBIW-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 | aminopyrimidines and derivativesazacyclic compoundsdialkylarylaminesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurines and purine derivativessecondary alcoholstetrahydrofuransthiazolidines |
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| Substituents | monosaccharideimidazopyrimidinepyrimidinesaccharidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compounddialkylarylamineprimary alcoholimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofurandialkylthioetherpurine nucleosideheteroaromatic compoundaminopyrimidineoxacycleorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compoundthiazolidine |
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