| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:24 UTC |
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| Update Date | 2025-03-21 18:40:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130402 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C11H17NO6S |
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| Molecular Mass | 291.0777 |
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| SMILES | NC(CSC1C=CC(O)(CC(=O)O)C(O)C1)C(=O)O |
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| InChI Key | FBYGXGVRZKZAGF-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 homomonocyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfenyl compoundstertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1,2-diolalcoholsulfenyl compounddialkylthioethertertiary alcoholorganic oxygen compoundthioethercysteine or derivativessecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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