| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:26 UTC |
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| Update Date | 2025-03-21 18:06:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063164 |
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| Frequency | 48.9 |
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| Structure | |
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| Chemical Formula | C4H8O7S |
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| Molecular Mass | 199.9991 |
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| SMILES | O=C(O)CCC(O)OS(=O)(=O)O |
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| InChI Key | XUVOILBFNLTTRC-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 sulfatescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesshort-chain hydroxy acids and derivativesstraight chain fatty acidssulfuric acid monoesters |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupstraight chain fatty acidcarboxylic acidorganic sulfuric acid or derivativesshort-chain hydroxy acidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidalkyl sulfatesulfate-esterhydrocarbon derivativehydroxy fatty acidsulfuric acid esterorganooxygen compound |
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