| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:45 UTC |
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| Update Date | 2025-03-25 00:48:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166480 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9N3O5S |
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| Molecular Mass | 247.0263 |
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| SMILES | CC(=O)Nc1ccc(N)nc1OS(=O)(=O)O |
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| InChI Key | YUHFFSCYDKDCLX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesacetamidesamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmethylpyridinesn-acetylarylaminesorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary aminessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupn-acetylarylaminearomatic heteromonocyclic compoundamino acid or derivativespolyhalopyridinen-arylamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridineimidolactamorganoheterocyclic compoundacetamideazacycleheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativeprimary amineorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
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