| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:13 UTC |
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| Update Date | 2025-03-21 18:36:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110888 |
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| Frequency | 24.0 |
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| Structure | |
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| Chemical Formula | C5H9NO7S |
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| Molecular Mass | 227.01 |
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| SMILES | O=C(O)C1CC(O)CN1OS(=O)(=O)O |
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| InChI Key | QBJZAHKXUVASAJ-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | proline and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic sulfuric acids and derivativesorganonitrogen compoundsorganopnictogen compoundspyrrolidine carboxylic acidssecondary alcohols |
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| Substituents | proline or derivativesalcoholcarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesazacycleorganic oxidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidineorganoheterocyclic compoundorganooxygen compound |
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