| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:00:48 UTC |
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| Update Date | 2025-03-21 18:55:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00205988 |
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| Frequency | 27.7 |
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| Structure | |
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| Chemical Formula | C5H5N5O4S |
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| Molecular Mass | 231.0062 |
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| SMILES | Nc1nc2[nH]c(S(=O)(=O)O)nc2c(=O)[nH]1 |
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| InChI Key | QDDSTHWTFYEWST-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 | arylsulfonic acids and derivativesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidsprimary aminespurines and purine derivativespyrimidonessulfonylsvinylogous amides |
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| Substituents | organosulfonic acid or derivativeslactamorganosulfonic acidpyrimidoneorganosulfur compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazolevinylogous amideazacycleheteroaromatic compoundsulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshypoxanthinehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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