| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:55:49 UTC |
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| Update Date | 2025-03-21 18:04:42 UTC |
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| HMDB ID | HMDB0126117 |
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| Metabolite Identification |
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| DeepMet ID | DMID00052372 |
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| Name | 2-methyl-3-(sulfooxy)propanoic acid |
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| Frequency | 62.1 |
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| Structure | |
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| Chemical Formula | C4H8O6S |
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| Molecular Mass | 184.0042 |
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| SMILES | CC(COS(=O)(=O)O)C(=O)O |
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| InChI Key | PEQDTRJYAJYFLE-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 | organic sulfuric acids and derivatives |
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| Subclass | sulfuric acid esters |
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| Direct Parent | sulfuric acid monoesters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl sulfatescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl sulfatesulfate-esterhydrocarbon derivativeorganooxygen compound |
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