| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:05 UTC |
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| Update Date | 2025-03-21 18:28:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071939 |
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| Frequency | 41.6 |
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| Structure | |
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| Chemical Formula | C5H12NO5S+ |
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| Molecular Mass | 198.0431 |
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| SMILES | C[N+](C)(C)CC(=O)OS(=O)(=O)O |
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| InChI Key | ZHZLABOAMMAATN-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 | aliphatic acyclic compounds |
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| Alternative Parents | aminescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssulfuric acid monoesterstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativestetraalkylammonium saltquaternary ammonium saltorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltsulfuric acid esteramineorganooxygen compound |
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