Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:05 UTC |
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Update Date | 2025-03-21 18:35:26 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105631 |
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Frequency | 25.6 |
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Structure | |
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Chemical Formula | C10H20N2O3S |
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Molecular Mass | 248.1195 |
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SMILES | CC(C)C(N)CCC(=O)NC(CS)C(=O)O |
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InChI Key | QCOZKSPKAROAEX-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 acidscarbonyl compoundscarboxylic acidscysteine and derivativesgamma amino acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
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Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidgamma amino acid or derivativesfatty amideorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha-amino acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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