| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:38 UTC |
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| Update Date | 2025-03-21 18:30:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080567 |
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| Frequency | 36.1 |
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| Structure | |
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| Chemical Formula | C8H14N2O5S |
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| Molecular Mass | 250.0623 |
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| SMILES | NC(O)C(=O)CCC(=O)NC(CS)C(=O)O |
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| InChI Key | QKUDIACOBOHSRT-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 | alkanolaminesalkylthiolsalpha amino acidsalpha-hydroxy ketonescarboxylic acidscysteine and derivativesdelta amino acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidemonosaccharideorganosulfur compoundalpha-hydroxy ketoneketonesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivativesalkanolaminen-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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