| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:37 UTC |
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| Update Date | 2025-03-25 00:49:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175329 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H18O7S |
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| Molecular Mass | 282.0773 |
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| SMILES | CCCCC=CC(O)C(CC(=O)O)OS(=O)(=O)O |
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| InChI Key | WPGHQEQDNIWOFX-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 acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholaliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativescarboxylic acid derivativemedium-chain hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidalkyl sulfatesecondary alcoholsulfate-esterhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidsulfuric acid esterorganooxygen compound |
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