| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:56 UTC |
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| Update Date | 2025-03-21 18:02:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035962 |
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| Frequency | 98.7 |
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| Structure | |
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| Chemical Formula | C8H11NO6S |
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| Molecular Mass | 249.0307 |
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| SMILES | O=C(CCC(=O)C(=O)O)NC(CS)C(=O)O |
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| InChI Key | BHHWJEMCJHINCH-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidscysteine and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amidesshort-chain keto acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amideshort-chain keto acidorganosulfur compoundalpha-hydroxy ketoneketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundn-acyl-alpha-amino acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundketo acidcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
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