| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:02 UTC |
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| Update Date | 2025-03-25 00:45:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148865 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21NO4S |
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| Molecular Mass | 299.1191 |
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| SMILES | Cc1ccc(C)c(CS(=O)(=O)CCC(N)C(=O)O)c1C |
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| InChI Key | ULNFNPQOBKZSSZ-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 | alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfonesthia fatty acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidorganosulfur compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesthia fatty acidsulfonylorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundsulfone |
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