| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:05:07 UTC |
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| Update Date | 2025-03-24 14:11:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00782818 |
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| Frequency | 1.9 |
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| Structure | |
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| Chemical Formula | C5H7NO2S |
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| Molecular Mass | 145.0197 |
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| SMILES | O=C1CCC(C(=O)S)N1 |
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| InChI Key | QNAWKWGKXOZUTK-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 | alkylthiolsalpha amino acidsazacyclic compoundscarbodithioic acidscarbonyl compoundscarbothioic s-acidscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspyrrolidine carboxylic acids and derivativespyrrolidine-2-onessecondary carboxylic acid amidesthiocarboxylic acids and derivativesthiolactones |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidonethiolactoneorganoheterocyclic compoundproline or derivativesthiocarboxylic acid or derivativesazacyclecarbodithioic acidcarboxamide groupcarbothioic s-acidsecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
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