| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:25 UTC |
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| Update Date | 2025-03-21 18:03:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044371 |
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| Frequency | 76.2 |
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| Structure | |
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| Chemical Formula | C7H11NO4S |
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| Molecular Mass | 205.0409 |
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| SMILES | NC(CCSC=CC(=O)O)C(=O)O |
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| InChI Key | QQAMSXMUZDCSOF-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 acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acidsthioenol ethersunsaturated fatty acidsvinylogous thioesters |
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| Substituents | fatty acylvinylogous thioesteraliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundfatty acidorganosulfur compoundunsaturated fatty acidorganic oxidethia fatty acidthioenoletherorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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