| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:34 UTC |
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| Update Date | 2025-03-25 01:01:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248404 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6N4O4S |
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| Molecular Mass | 230.011 |
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| SMILES | Cn1c(=O)[nH]c2c(S(=O)(=O)O)ncnc21 |
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| InChI Key | PDOGTRLYYBJABX-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 | purinones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | arylsulfonic acids and derivativesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidspyrimidines and pyrimidine derivativessulfonyls |
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| Substituents | organosulfonic acid or derivativesorganosulfonic acidorganosulfur compoundpurinonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazolen-substituted imidazolecarbonic acid derivativeazacycleheteroaromatic compoundsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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