| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:27 UTC |
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| Update Date | 2025-03-21 18:28:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070413 |
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| Frequency | 42.7 |
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| Structure | |
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| Chemical Formula | C10H14N2O3S |
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| Molecular Mass | 242.0725 |
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| SMILES | CC(=O)NCCS(=O)(=O)c1ccc(N)cc1 |
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| InChI Key | LSJXSXOGYIXLIQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzenesulfonyl compounds |
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| Direct Parent | benzenesulfonyl compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesamino acids and derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary carboxylic acid amidessulfones |
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| Substituents | carbonyl groupamino acid or derivativesorganosulfur compoundcarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxidesulfonylorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineacetamideorganooxygen compoundsulfonebenzenesulfonyl group |
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