| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:51 UTC |
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| Update Date | 2025-03-21 18:42:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00138323 |
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| Frequency | 55.4 |
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| Structure | |
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| Chemical Formula | C5H5N5O5S |
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| Molecular Mass | 247.0011 |
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| SMILES | Nc1nc2[nH]c(OS(=O)(=O)O)nc2c(=O)[nH]1 |
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| InChI Key | HQTIDCPQOQNEDV-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 | hypoxanthines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | arylsulfatesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespurines and purine derivativespyrimidonessulfuric acid monoestersvinylogous amides |
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| Substituents | sulfuric acid monoesterlactampyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundarylsulfateazolevinylogous amideorganic sulfuric acid or derivativesazacycleheteroaromatic compoundorganic oxygen compoundhypoxanthinesulfate-esterhydrocarbon derivativeprimary amineorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
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