| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:52 UTC |
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| Update Date | 2025-03-25 00:53:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203221 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O4S |
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| Molecular Mass | 240.0456 |
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| SMILES | O=C(O)CC(SCc1ccccc1)C(=O)O |
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| InChI Key | PLQQDQFONINWJP-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 | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesorganic oxidessulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidethia fatty acidorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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