| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:04 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 | DMID02155968 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H18NO3S+ |
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| Molecular Mass | 208.1002 |
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| SMILES | C[N+](C)(C)C(O)CCSCC(=O)O |
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| InChI Key | CPNSMQLCWLSIGD-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | quaternary ammonium salts |
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| Direct Parent | tetraalkylammonium salts |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethershemiaminalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundtetraalkylammonium saltdialkylthioetherorganosulfur compoundcarboxylic acid derivativehemiaminalorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganopnictogen compoundhydrocarbon derivativeorganic cationorganic saltorganooxygen compoundalkanolamine |
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