| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:06 UTC |
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| Update Date | 2025-03-21 18:40:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129677 |
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| Frequency | 19.6 |
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| Structure | |
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| Chemical Formula | C5H8O7S |
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| Molecular Mass | 211.9991 |
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| SMILES | COC(=O)CCC(=O)OS(=O)(=O)O |
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| InChI Key | QTFLWAMYWNIVIA-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 acid esters |
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| Direct Parent | fatty acid methyl esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesmethyl estersorganic oxidessulfuric acid monoesters |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativescarboxylic acid derivativeorganic oxidefatty acid methyl estermethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativesulfuric acid esterorganooxygen compound |
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