| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:28 UTC |
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| Update Date | 2025-03-21 18:04:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049249 |
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| Frequency | 67.1 |
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| Structure | |
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| Chemical Formula | C6H8O4S |
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| Molecular Mass | 176.0143 |
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| SMILES | CSC=C(CC(=O)O)C(=O)O |
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| InChI Key | BQZRMHWMALCYBM-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 acyclic compounds |
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| Alternative Parents | branched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessulfenyl compoundsthioenol ethersunsaturated fatty acidsvinylogous thioesters |
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| Substituents | vinylogous thioesteraliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundorganosulfur compoundcarboxylic acid derivativebranched fatty acidunsaturated fatty acidorganic oxidethia fatty acidthioenoletherorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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