| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:13 UTC |
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| Update Date | 2025-03-21 18:02:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039069 |
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| Frequency | 89.3 |
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| Structure | |
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| Chemical Formula | C9H11NO3S |
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| Molecular Mass | 213.046 |
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| SMILES | NC(CSc1ccc(O)cc1)C(=O)O |
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| InChI Key | FVXLRXHSPYGEFL-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 | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkylarylthioethersalpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidalkylarylthioetherorganosulfur compoundaryl thioetherorganic oxidethiophenolthiophenol etherorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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