Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:48:07 UTC |
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Update Date | 2025-03-21 18:01:39 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00033991 |
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Frequency | 106.2 |
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Structure | |
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Chemical Formula | C4H8O8S |
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Molecular Mass | 215.994 |
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SMILES | O=C(O)C(O)C(O)COS(=O)(=O)O |
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InChI Key | BLBADBXRGNWBCX-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 | 1,2-diolsalkyl sulfatesalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivativessulfuric acid monoesters |
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Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxidealkyl sulfatehydroxy fatty acid1,2-diolalcoholorganic sulfuric acid or derivativeshydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidsecondary alcoholsulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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