| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:27:30 UTC |
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| Update Date | 2025-03-21 18:40:02 UTC |
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| HMDB ID | HMDB0130847 |
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| Metabolite Identification |
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| DeepMet ID | DMID00128254 |
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| Name | 2-[(sulfooxy)methyl]butanoic acid |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C5H10O6S |
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| Molecular Mass | 198.0198 |
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| SMILES | CCC(COS(=O)(=O)O)C(=O)O |
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| InChI Key | MFAAIXPWTQUBBZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | sulfated fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl sulfatesbranched fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesshort-chain hydroxy acids and derivativessulfuric acid monoesters |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesshort-chain hydroxy acidcarboxylic acid derivativebranched fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidalkyl sulfatesulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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