| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:06 UTC |
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| Update Date | 2025-03-25 00:46:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156031 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H23N2O2S+ |
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| Molecular Mass | 283.1475 |
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| SMILES | CSCCC(C(=O)Nc1ccc(O)cc1)[N+](C)(C)C |
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| InChI Key | QHLFGXPYQYHFPN-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 | methionine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsaminesanilidescarbonyl compoundscarboxylic acids and derivativesdialkylthioethersfatty amideshydrocarbon derivativesn-arylamidesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundstetraalkylammonium salts |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupfatty amide1-hydroxy-2-unsubstituted benzenoidn-arylamideorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltsulfenyl compoundalpha-amino acid amidetetraalkylammonium saltdialkylthioetherquaternary ammonium saltcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundthioethermethionine or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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