| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:54 UTC |
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| Update Date | 2025-03-21 18:40:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129200 |
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| Frequency | 19.7 |
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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 | CC(=O)SCCC(=O)C(=O)O |
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| InChI Key | UDALIIJCWRGSTG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | short-chain keto acids and derivatives |
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| Direct Parent | short-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarbothioic s-esterscarboxylic acidsfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compoundsthia fatty acidsthioestersthiolactones |
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| Substituents | fatty acylaliphatic acyclic compoundthiocarboxylic acid or derivativescarbonyl groupcarboxylic acidsulfenyl compoundthiocarboxylic acid estershort-chain keto acidorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativecarbothioic s-esterketoneorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundalpha-keto acidhydrocarbon derivativethiolactoneorganooxygen compound |
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