| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:50 UTC |
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| Update Date | 2025-03-25 00:47:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162043 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO6S |
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| Molecular Mass | 251.0464 |
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| SMILES | O=C(O)C1CCC(=O)N1CCCS(=O)(=O)O |
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| InChI Key | GVRCOSXOFPUDOB-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 derivativeslactamsmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidsoxoprolinespyrrolidine carboxylic acidspyrrolidine-2-onessulfonylstertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidoneorganosulfonic acid or derivativescarbonyl grouplactamcarboxylic acidorganosulfonic acidorganosulfur compoundorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundproline or derivativesoxoprolineazacyclen-alkylpyrrolidinecarboxamide groupmonocarboxylic acid or derivativessulfonylpyrrolidine carboxylic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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