| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:59 UTC |
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| Update Date | 2025-03-21 18:30:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083743 |
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| Frequency | 34.3 |
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| Structure | |
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| Chemical Formula | C6H12O4S |
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| Molecular Mass | 180.0456 |
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| SMILES | CC(CCS(C)(=O)=O)C(=O)O |
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| InChI Key | WUAJZOKQIQPYDD-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 | carbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidessulfones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidorganosulfur compoundcarboxylic acid derivativebranched fatty acidorganic oxidemonocarboxylic acid or derivativesthia fatty acidsulfonylorganic oxygen compoundhydrocarbon derivativeorganooxygen compoundsulfone |
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