| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:05 UTC |
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| Update Date | 2025-03-21 18:39:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127227 |
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| Frequency | 20.1 |
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| Structure | |
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| Chemical Formula | C7H9NO3S |
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| Molecular Mass | 187.0303 |
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| SMILES | O=C(O)C1CSC2CCC(=O)N21 |
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| InChI Key | FYKBONDKOYFHJR-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativeslactamsmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onestertiary carboxylic acid amidesthiazolidinesthiohemiaminal derivatives |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamcarboxylic acidaliphatic heteropolycyclic compoundorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacyclen-alkylpyrrolidinedialkylthioethercarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiazolidine |
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