Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:20:15 UTC |
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Update Date | 2025-03-21 18:36:31 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00110955 |
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Frequency | 24.0 |
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Structure | |
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Chemical Formula | C12H19N3O8S |
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Molecular Mass | 365.0893 |
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SMILES | NC(CCC(=O)NC(CSC(=O)CC(N)C(=O)O)C(=O)O)C(=O)O |
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InChI Key | GTEKSGDXLNXITB-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 | dipeptides |
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Geometric Descriptor | aliphatic acyclic compounds |
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Alternative Parents | alpha amino acidscarbonyl compoundscarbothioic s-esterscarboxylic acidscysteine and derivativesfatty acyl thioestersglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acidsthioestersthiolactonestricarboxylic acids and derivatives |
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Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidetricarboxylic acid or derivativesalpha-amino acid or derivativesorganosulfur compoundcarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundfatty acyl thioesterthiolactonen-acyl-alpha amino acid or derivativesthiocarboxylic acid or derivativessulfenyl compoundn-acyl-alpha-amino acidthiocarboxylic acid estercarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidethia fatty acidorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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