| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:54 UTC |
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| Update Date | 2025-03-25 00:50:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180576 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H18N3O3S+ |
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| Molecular Mass | 272.1063 |
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| SMILES | C[N+](C)(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 |
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| InChI Key | WBWXGAPGJBQJNI-UHFFFAOYSA-O |
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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 acidsaminesaminosulfonyl compoundsanilidesbenzenesulfonamidesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupn-arylamideorganosulfur compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltbenzenesulfonyl groupbenzenesulfonamidealpha-amino acid amidetetraalkylammonium saltaminosulfonyl compoundquaternary ammonium saltcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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