| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:05 UTC |
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| Update Date | 2025-03-21 18:34:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100705 |
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| Frequency | 27.2 |
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| Structure | |
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| Chemical Formula | C8H16N2O9S |
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| Molecular Mass | 316.0577 |
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| SMILES | CC(=O)NC1C(O)OC(CO)C(NOS(=O)(=O)O)C1O |
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| InChI Key | UALCCAMKMJIFFP-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 | carbohydrates and carbohydrate conjugates |
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| Direct Parent | monosaccharides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidescarbonyl compoundscarboxylic acids and derivativeshemiacetalshydrocarbon derivativesorganic oxidesorganic sulfuric acids and derivativesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | alcoholcarbonyl grouporganic sulfuric acid or derivativesmonosaccharidecarboxamide groupcarboxylic acid derivativeoxacyclesecondary carboxylic acid amideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhemiacetalhydrocarbon derivativeorganic nitrogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamide |
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