| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:29 UTC |
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| Update Date | 2025-03-25 00:49:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174980 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14O6S |
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| Molecular Mass | 238.0511 |
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| SMILES | CCCCCC(=CC(=O)O)OS(=O)(=O)O |
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| InChI Key | ORPCEXCAXYQHGY-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 | carbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoestersunsaturated fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupsulfuric acid monoestercarboxylic acidorganic sulfuric acid or derivativescarboxylic acid derivativemedium-chain hydroxy acidunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidsulfate-esterhydrocarbon derivativemedium-chain fatty acidsulfuric acid esterorganooxygen compound |
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