| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:17 UTC |
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| Update Date | 2025-03-21 17:59:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018161 |
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| Frequency | 229.0 |
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| Structure | |
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| Chemical Formula | C8H12N2O4S |
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| Molecular Mass | 232.0518 |
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| SMILES | O=C1CCC(C(=O)NC(CS)C(=O)O)N1 |
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| InChI Key | WXWXRKGUFHVCCD-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 | dipeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativeshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsproline and derivativespyrrolidine-2-onespyrrolidinecarboxamidessecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamcarboxylic acidalpha-amino acid or derivativesorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamidealkylthiolorganooxygen compound |
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