| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:27 UTC |
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| Update Date | 2025-03-21 17:57:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00007190 |
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| Frequency | 707.2 |
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| Structure | |
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| Chemical Formula | C5H9NO6S2 |
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| Molecular Mass | 242.9871 |
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| SMILES | CC(=O)NC(CSS(=O)(=O)O)C(=O)O |
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| InChI Key | AXTCGEZPTQJWMO-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 acidscysteine and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundss-alkyl thiosulfatessecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundn-acyl-alpha-amino acidorganosulfur compoundcarboxamide groups-alkyl thiosulfatesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compound |
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