| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:03 UTC |
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| Update Date | 2025-03-21 18:36:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110462 |
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| Frequency | 24.1 |
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| Structure | |
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| Chemical Formula | C12H14N4O6S |
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| Molecular Mass | 342.0634 |
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| SMILES | O=C(O)CSc1ncnc2c1ncn2C1OC(CO)C(O)C1O |
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| InChI Key | JLJUSTHOHTWBNU-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 | alkylarylthioethersazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compoundstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidmonosaccharideimidazopyrimidinealkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compound |
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