| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:33 UTC |
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| Update Date | 2025-03-21 18:38:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121292 |
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| Frequency | 21.4 |
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| Structure | |
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| Chemical Formula | C22H34O5S |
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| Molecular Mass | 410.2127 |
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| SMILES | CCCCCC=CCC=CC=CC=CC(SCC(=O)O)C(O)CCCC(=O)O |
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| InChI Key | SBJCECYKAMVTDR-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 | long-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsorganic oxidessecondary alcoholssulfenyl compoundsthia fatty acids |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl grouplong-chain fatty acidcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundcarboxylic acid derivativeorganic oxidethia fatty acidorganic oxygen compoundthioethersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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