| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:33 UTC |
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| Update Date | 2025-03-25 00:54:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207049 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H9NO2S |
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| Molecular Mass | 159.0354 |
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| SMILES | O=C(O)C12CCC(CS1)N2 |
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| InChI Key | IDGPEGVEIIVOGH-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 | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acidsthianesthiazolidinesthiohemiaminal derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acidaliphatic heteropolycyclic compoundorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundpyrrolidineorganoheterocyclic compoundthianesecondary aliphatic amineazacycledialkylthioethersecondary aminemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminethiazolidine |
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