| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:34 UTC |
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| Update Date | 2025-03-25 00:45:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150116 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H11NO8S |
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| Molecular Mass | 269.0205 |
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| SMILES | O=C(O)C1CC(O)C(=O)N1CCOS(=O)(=O)O |
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| InChI Key | DVUWGSOKWJMEIQ-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 | alkyl sulfatesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxoprolinespyrrolidine carboxylic acidspyrrolidine-2-onessecondary alcoholssulfuric acid monoesterstertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonesulfuric acid monoestercarbonyl grouplactamcarboxylic acidorganic oxidepyrrolidine carboxylic acidalkyl sulfatetertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundproline or derivativesalcoholorganic sulfuric acid or derivativesoxoprolineazacyclen-alkylpyrrolidinecarboxamide groupmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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