| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:21 UTC |
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| Update Date | 2025-03-25 00:51:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188420 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8O5S |
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| Molecular Mass | 192.0092 |
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| SMILES | CC(O)C(=O)SCC(=O)C(=O)O |
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| InChI Key | ZFXVFYIJNZEKRL-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 | alpha-keto acids and derivatives |
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| Direct Parent | alpha-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonescarbothioic s-esterscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfenyl compoundsthioestersthiolactones |
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| Substituents | alcoholaliphatic acyclic compoundthiocarboxylic acid or derivativescarbonyl groupcarboxylic acidsulfenyl compoundthiocarboxylic acid esterorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativecarbothioic s-esterketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-keto acidsecondary alcoholhydrocarbon derivativethiolactoneorganooxygen compound |
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