| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:32 UTC |
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| Update Date | 2025-03-21 18:06:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063398 |
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| Frequency | 48.7 |
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| Structure | |
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| Chemical Formula | C10H14N2O4S |
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| Molecular Mass | 258.0674 |
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| SMILES | Nc1ccc(S(=O)(=O)CCC(N)C(=O)O)cc1 |
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| InChI Key | AQIGKEPWLJMCJU-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 | amino acidsbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfonesthia fatty acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzenesulfonyl grouparomatic homomonocyclic compoundmonocarboxylic acid or derivativesthia fatty acidsulfonylorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compoundsulfone |
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