| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:34 UTC |
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| Update Date | 2025-03-21 18:39:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126004 |
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| Frequency | 20.3 |
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| Structure | |
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| Chemical Formula | C11H17N3O6S2 |
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| Molecular Mass | 351.0559 |
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| SMILES | NC(CSSCC(NC(=O)C1CCC(=O)N1)C(=O)O)C(=O)O |
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| InChI Key | QIZCZDJBDFIFSX-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 | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesdialkyldisulfidesdicarboxylic acids and derivativeshydrocarbon derivativeslactamsmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine-2-onespyrrolidinecarboxamidessecondary carboxylic acid amidessulfenyl compounds |
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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 amidesulfenyl compoundazacyclen-acyl-alpha-amino acidcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidedialkyldisulfidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundorganic disulfidecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compound |
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