| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:01 UTC |
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| Update Date | 2025-03-25 00:48:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169326 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21N3O3S |
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| Molecular Mass | 299.1304 |
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| SMILES | CCN(CC)CC(=O)Nc1ccc(C)cc1S(N)(=O)=O |
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| InChI Key | AOPDTGGKTMBLNF-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 acid amides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminosulfonyl compoundsanilidesbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amidestoluenestrialkylamines |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupn-arylamideorganosulfur compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary aminebenzenesulfonyl groupbenzenesulfonamidealpha-amino acid amideaminosulfonyl compoundtertiary aliphatic aminecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneamineorganooxygen compound |
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