| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:07 UTC |
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| Update Date | 2025-03-21 18:34:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103291 |
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| Frequency | 26.3 |
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| Structure | |
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| Chemical Formula | C5H12N2O4S2 |
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| Molecular Mass | 228.0238 |
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| SMILES | NC(CS)C(=O)NCCS(=O)(=O)O |
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| InChI Key | IBACTKBYTXJCIP-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 acid amides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidscarbonyl compoundscarboxylic acids and derivativescysteine and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfonyls |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupalpha-amino acid amideorganosulfonic acidorganosulfur compoundcarboxamide groupsecondary carboxylic acid amideorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativescysteine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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