| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:11 UTC |
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| Update Date | 2025-03-21 18:03:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043789 |
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| Frequency | 83.8 |
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| Structure | |
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| Chemical Formula | C8H15NO8S2 |
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| Molecular Mass | 317.0239 |
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| SMILES | CC(=O)NC1C(O)OC(COS(=O)(=O)S)C(O)C1O |
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| InChI Key | IERSDVQQIRIBIJ-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 | acylaminosugars |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetamidescarbonyl compoundscarboxylic acids and derivativeshemiacetalshydrocarbon derivativesmonosaccharidesn-acyl-alpha-hexosaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupmonosaccharidecarboxylic acid derivativen-acyl-alpha-hexosamineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundacetamide1,2-diolalcoholcarboxamide groupacylaminosugaroxacyclesecondary carboxylic acid amidesecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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