| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:18 UTC |
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| Update Date | 2025-03-21 18:01:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032047 |
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| Frequency | 114.4 |
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| Structure | |
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| Chemical Formula | C11H16O7S |
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| Molecular Mass | 292.0617 |
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| SMILES | O=C(O)CC1(O)C=CC(O)CC1SCC(O)C(=O)O |
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| InChI Key | CKTJYBANEDKSQY-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 | thia fatty acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidessecondary alcoholssulfenyl compoundstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetheralpha-hydroxy acidmonosaccharidehydroxy acidorganosulfur compoundcarboxylic acid derivativetertiary alcoholsaccharideorganic oxidethia fatty acidorganic oxygen compoundthioethersecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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