| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:23 UTC |
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| Update Date | 2025-03-21 18:40:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130371 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C5H10O6S |
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| Molecular Mass | 198.0198 |
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| SMILES | CCC(CC(=O)O)OS(=O)(=O)O |
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| InChI Key | CJXDIPMRPGHLFC-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 derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesshort-chain hydroxy acids and derivativessulfuric acid monoesters |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesmethyl-branched fatty acidshort-chain hydroxy acidcarboxylic acid derivativebranched fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidalkyl sulfatesulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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