| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:02 UTC |
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| Update Date | 2025-03-25 00:59:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240157 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO4S |
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| Molecular Mass | 219.0565 |
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| SMILES | NC(CCCSC=CC(=O)O)C(=O)O |
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| InChI Key | GQRXJRVTTUSBEW-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 compoundsthioenol ethersunsaturated fatty acidsvinylogous thioesters |
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| Substituents | fatty acylvinylogous thioesteraliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundfatty acidorganosulfur compoundunsaturated fatty acidorganic oxidethioenoletherorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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