| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:43 UTC |
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| Update Date | 2025-03-25 00:51:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184635 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO4S |
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| Molecular Mass | 295.0878 |
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| SMILES | NC(CSC(=O)CC(=O)CCc1ccccc1)C(=O)O |
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| InChI Key | GQPVHYIBLLXKTR-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 | alpha amino acidsbenzene and substituted derivativescarbothioic s-esterscarboxylic acidsfatty acyl thioestershydrocarbon derivativesketonesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthioestersthiolactones |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganosulfur compoundcarbothioic s-esterketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundfatty acyl thioesterthiolactonethiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid esteraromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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