| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:24 UTC |
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| Update Date | 2025-03-21 18:33:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094182 |
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| Frequency | 29.5 |
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| Structure | |
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| Chemical Formula | C11H17N2O2S+ |
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| Molecular Mass | 241.1005 |
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| SMILES | C[N+](C)(C)C(Cc1ccc(=S)[nH]c1)C(=O)O |
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| InChI Key | ALUCTGVRHKKBHB-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 acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aminesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsorganosulfur compoundstetraalkylammonium saltsthiolactams |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganosulfur compoundorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundtetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundthiolactamhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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