| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:59 UTC |
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| Update Date | 2025-03-25 00:48:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167051 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO3S |
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| Molecular Mass | 253.0773 |
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| SMILES | CC(=O)SC(C(=O)O)C(N)Cc1ccccc1 |
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| InChI Key | KETYQWFGZMLZNY-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarbothioic s-esterscarboxylic acidsfatty acylshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acidsthioestersthiolactones |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidorganosulfur compoundcarbothioic s-esterorganic oxideorganonitrogen compoundorganopnictogen compoundthiolactoneamphetamine or derivativesthiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid esterbeta amino acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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