| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:02 UTC |
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| Update Date | 2025-03-21 18:03:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045825 |
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| Frequency | 73.3 |
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| Structure | |
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| Chemical Formula | C9H13NO7S |
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| Molecular Mass | 279.0413 |
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| SMILES | CC(=O)NC(CSC(CC(=O)O)C(=O)O)C(=O)O |
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| InChI Key | VWRYIVZHCHQFKJ-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 | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersfatty acylshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acidstricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidtricarboxylic acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidesulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide groupsecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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