| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:26 UTC |
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| Update Date | 2025-03-25 00:53:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202229 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H16NO2S+ |
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| Molecular Mass | 178.0896 |
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| SMILES | C[N+](C)(C)CSCCC(=O)O |
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| InChI Key | NDQGDQNOOUFOMJ-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 acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundtetraalkylammonium saltdialkylthioetherorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganopnictogen compoundhydrocarbon derivativeorganic cationorganic saltorganooxygen compound |
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