| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:46 UTC |
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| Update Date | 2025-03-25 00:59:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237300 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8N2O6S2 |
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| Molecular Mass | 279.9824 |
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| SMILES | O=C(CCc1c[nH]c(=S)[nH]c1=O)OS(=O)(=O)O |
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| InChI Key | CFJYQUVJRUAIDO-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidinethiones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-thiopyrimidinesazacyclic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonessulfuric acid monoestersthioureasvinylogous amides |
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| Substituents | sulfuric acid monoestercarbonyl groupthiourealactampyrimidinethionearomatic heteromonocyclic compoundpyrimidoneorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-thiopyrimidinevinylogous amideorganic sulfuric acid or derivativesazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compoundthiopyrimidine |
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