| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:25 UTC |
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| Update Date | 2025-03-21 18:39:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128044 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C10H14N2O6S |
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| Molecular Mass | 290.0573 |
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| SMILES | NC(CSC1C=C(C(=O)O)NC(C(=O)O)C1)C(=O)O |
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| InChI Key | FXYRVYKEXHKLMN-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethershydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundssulfenyl compoundstetrahydropyridinestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativesorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic aminesulfenyl compoundazacycledialkylthioethertetrahydropyridinesecondary amineorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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