| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:46 UTC |
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| Update Date | 2025-03-25 00:56:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216957 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N4O5S |
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| Molecular Mass | 314.0685 |
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| SMILES | CSCC1OC(n2c(=O)nc(O)c3nc(O)[nH]c32)CC1O |
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| InChI Key | NXRASSPEABHBAJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | imidazopyrimidines |
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| Subclass | purines and purine derivatives |
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| Direct Parent | xanthines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkaloids and derivativesazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxypyrimidinesimidazolesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspurinonespyrimidonessecondary alcoholssulfenyl compoundstetrahydrofurans |
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| Substituents | monosaccharidepyrimidonehydroxypyrimidineorganosulfur compoundpurinonepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazolealcoholcarbonic acid derivativesulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundxanthineoxacyclealkaloid or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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