| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:44 UTC |
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| Update Date | 2025-03-25 00:51:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187036 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H9NO5S+ |
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| Molecular Mass | 183.0196 |
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| SMILES | CC(C(=O)O)[N+](C)S(=O)(=O)O |
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| InChI Key | BSACHDQVBDZHFM-UHFFFAOYSA-N |
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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 | alanine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfuric acid monoamides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidsulfuric acid monoamideorganopnictogen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
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