| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:59 UTC |
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| Update Date | 2025-03-25 00:54:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208089 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16N2O3S |
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| Molecular Mass | 232.0882 |
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| SMILES | CC(C)CC(N)C(=O)NC(C=S)C(=O)O |
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| InChI Key | XBTOSFFWNXDWFH-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 acid amidesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesleucine and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthioaldehydes |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidethiocarbonyl groupalpha-amino acid or derivativesorganosulfur compoundorganic oxidethioaldehydeleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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