| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:27 UTC |
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| Update Date | 2025-03-21 18:31:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084808 |
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| Frequency | 33.8 |
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| Structure | |
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| Chemical Formula | C6H9NO3S |
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| Molecular Mass | 175.0303 |
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| SMILES | CSC=C(NC(C)=O)C(=O)O |
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| InChI Key | UWSZWPANKWBWHB-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioenol ethersvinylogous thioesters |
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| Substituents | vinylogous thioesteraliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundn-acyl-alpha-amino acidorganosulfur compoundcarboxamide groupsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesthioenoletherorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compound |
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