| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:40 UTC |
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| Update Date | 2025-03-21 18:33:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094789 |
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| Frequency | 45.0 |
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| Structure | |
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| Chemical Formula | C5H7NO3S |
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| Molecular Mass | 161.0147 |
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| SMILES | O=C1CCSC(C(=O)O)N1 |
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| InChI Key | NOTVCSVTMVBQEZ-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthiazinanesthiohemiaminal derivatives |
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| Substituents | carbonyl grouplactamcarboxylic acidazacycledialkylthioethercarboxamide groupsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound1,3-thiazinaneorganoheterocyclic compoundorganooxygen compound |
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