| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:14 UTC |
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| Update Date | 2025-03-25 00:53:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201793 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O5S |
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| Molecular Mass | 300.078 |
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| SMILES | Cc1ccc(S(=O)(=O)NC(=O)CCC(N)C(=O)O)cc1 |
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| InChI Key | RNTVDXRCEBGQPT-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 | glutamine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acids and derivativestosyl compounds |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidglutamine or derivativestosyl compoundorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundtolueneorganooxygen compound |
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