| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:00 UTC |
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| Update Date | 2025-03-25 00:57:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224448 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H8O8S |
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| Molecular Mass | 227.994 |
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| SMILES | O=C(O)C(=O)CCOCOS(=O)(=O)O |
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| InChI Key | OESAMHIDXXDFHE-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 acids and conjugates |
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| Direct Parent | sulfated fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl sulfatesalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativesmonocarboxylic acids and 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 derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidketo acidalkyl sulfatealpha-keto acidsulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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