| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:11 UTC |
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| Update Date | 2025-03-21 18:07:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067383 |
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| Frequency | 45.1 |
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| Structure | |
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| Chemical Formula | C5H6O4S |
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| Molecular Mass | 161.9987 |
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| SMILES | CC(=O)SCC(=O)C(=O)O |
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| InChI Key | UKNIDVIOJDOKPN-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 oxidessulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundthiocarboxylic acid or derivativescarbonyl groupcarboxylic acidsulfenyl compoundthiocarboxylic acid esterorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativecarbothioic s-esterketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-keto acidhydrocarbon derivativethiolactoneorganooxygen compound |
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