| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:11 UTC |
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| Update Date | 2025-03-25 00:57:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224851 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H11NO4S |
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| Molecular Mass | 205.0409 |
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| SMILES | NCCSC(=O)CCC(=O)C(=O)O |
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| InChI Key | TZTWCRSPMRJUAC-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 acyl thioestershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativecarbothioic s-esterketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundfatty acyl thioesterthiolactonethiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid estermonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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