| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:45 UTC |
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| Update Date | 2025-03-21 18:31:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087837 |
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| Frequency | 32.3 |
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| Structure | |
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| Chemical Formula | C7H12O8S |
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| Molecular Mass | 256.0253 |
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| SMILES | O=C(O)C1(O)CCC(OS(=O)(=O)O)C(O)C1 |
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| InChI Key | VLWQFNQGTJNQCB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | cyclohexanols |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alkyl sulfatesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidscyclitols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesterstertiary alcohols |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesalpha-hydroxy acidcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativesalkyl sulfatealiphatic homomonocyclic compoundsulfate-esterhydrocarbon derivativesulfuric acid ester |
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