| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:54 UTC |
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| Update Date | 2025-03-21 18:05:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054802 |
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| Frequency | 58.6 |
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| Structure | |
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| Chemical Formula | C5H6O8S |
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| Molecular Mass | 225.9783 |
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| SMILES | O=C(CCC(=O)C(=O)O)OS(=O)(=O)O |
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| InChI Key | JUJGFKXRVPVLQN-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 | keto acids and derivatives |
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| Subclass | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesshort-chain keto acids and derivativessulfuric acid monoesters |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativegamma-keto acidketoneorganic oxideorganic oxygen compoundalpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivativesulfuric acid esterorganooxygen compound |
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