| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:06 UTC |
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| Update Date | 2025-03-21 18:37:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117868 |
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| Frequency | 22.2 |
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| Structure | |
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| Chemical Formula | C4H9NO4S2 |
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| Molecular Mass | 198.9973 |
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| SMILES | NC(CSCS(=O)O)C(=O)O |
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| InChI Key | UFCLGYDDJTWPPR-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 | alkanesulfinic acids and derivativesalpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundssulfinic acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioethersulfinic acid derivativeorganosulfur compoundsulfinic acidalkanesulfinic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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