| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:36 UTC |
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| Update Date | 2025-03-21 18:38:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119093 |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C8H12N2O6S2 |
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| Molecular Mass | 296.0137 |
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| SMILES | NC(CSC(=S)NC(CC(=O)O)C(=O)O)C(=O)O |
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| InChI Key | AGQGPEZDYYEPDA-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdithiocarbamic acid estershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundtricarboxylic acid or derivativesorganosulfur compounddithiocarbamic acid esterorganic oxideorganic oxygen compoundcysteine or derivativesaspartic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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