| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:15 UTC |
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| Update Date | 2025-03-25 00:49:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172161 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H7NO8S |
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| Molecular Mass | 264.9892 |
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| SMILES | CC(=O)NC1C(=O)C(O)=C(OS(=O)(=O)O)C1=O |
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| InChI Key | SZDFIGMDAISHEA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | beta-diketones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | acetamidescarboxylic acids and derivativescyclic ketoneshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfuric acid monoestersvinylogous acids |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativescyclic ketonecarboxamide groupcarboxylic acid derivativeketonesecondary carboxylic acid amidevinylogous acidorganic oxideorganonitrogen compoundaliphatic homomonocyclic compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid ester1,3-diketoneacetamide |
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