| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:34 UTC |
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| Update Date | 2025-03-21 18:03:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047130 |
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| Frequency | 70.7 |
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| Structure | |
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| Chemical Formula | C5H12O4S |
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| Molecular Mass | 168.0456 |
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| SMILES | CC(C)CCOS(=O)(=O)O |
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| InChI Key | WUVFMWOVTWSINJ-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 | organic sulfuric acids and derivatives |
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| Subclass | sulfuric acid esters |
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| Direct Parent | sulfuric acid monoesters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl sulfateshydrocarbon derivativesorganic oxidesorganooxygen compounds |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoesterorganic oxideorganic oxygen compoundalkyl sulfatesulfate-esterhydrocarbon derivativeorganooxygen compound |
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