| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:59 UTC |
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| Update Date | 2025-03-21 18:30:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083739 |
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| Frequency | 34.3 |
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| Structure | |
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| Chemical Formula | C6H12O8S |
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| Molecular Mass | 244.0253 |
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| SMILES | O=C(CCC(O)CO)OCOS(=O)(=O)O |
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| InChI Key | CBUKBRSMGVZODY-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 esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl sulfatescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesprimary alcoholssecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholaliphatic acyclic compoundsulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativescarboxylic acid derivativefatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralkyl sulfatesecondary alcoholsulfate-esterhydrocarbon derivativesulfuric acid esterprimary alcoholorganooxygen compound1,2-diol |
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