| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:39 UTC |
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| Update Date | 2025-03-21 18:00:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00025851 |
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| Frequency | 148.8 |
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| Structure | |
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| Chemical Formula | C6H9NO4S |
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| Molecular Mass | 191.0252 |
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| SMILES | NC(CSC=CC(=O)O)C(=O)O |
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| InChI Key | RVTMDFDZIJFSEM-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthioenol ethersvinylogous thioesters |
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| Substituents | vinylogous thioesteraliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundorganosulfur compoundorganic oxidethioenoletherorganic oxygen compoundcysteine or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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