| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:27 UTC |
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| Update Date | 2025-03-25 01:01:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252702 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO4S |
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| Molecular Mass | 257.0722 |
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| SMILES | NC(CSCCOc1ccc(O)cc1)C(=O)O |
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| InChI Key | FNKPHNUMHWWFFS-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 benzenoids4-alkoxyphenolsalkyl aryl ethersalpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundssulfenyl compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound4-alkoxyphenolsulfenyl compounddialkylthioetheraromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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