| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:57 UTC |
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| Update Date | 2025-03-21 18:33:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097971 |
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| Frequency | 28.1 |
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| Structure | |
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| Chemical Formula | C7H11NO6S2 |
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| Molecular Mass | 269.0028 |
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| SMILES | NC(CSSCC(C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | ATRGIZMUGPETSJ-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 | 1,3-dicarbonyl compoundsalpha amino acidscarboxylic acidsdialkyldisulfideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundtricarboxylic acid or derivativesorganosulfur compounddialkyldisulfideorganic oxideorganic oxygen compoundorganic disulfidecysteine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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