| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:18 UTC |
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| Update Date | 2025-03-21 18:39:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127787 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C6H8N2O5S2 |
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| Molecular Mass | 251.9875 |
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| SMILES | O=C(CCc1c[nH]c(=S)[nH]1)OS(=O)(=O)O |
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| InChI Key | PWKIMSMMAYGVGG-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 | azolines |
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| Subclass | imidazolines |
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| Direct Parent | imidazolethiones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfuric acid monoestersthioureas |
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| Substituents | sulfuric acid monoestercarbonyl groupthioureaorganic sulfuric acid or derivativesaromatic heteromonocyclic compoundazacycleheteroaromatic compoundimidazole-2-thioneorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compoundazole |
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