| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:49 UTC |
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| Update Date | 2025-03-25 00:55:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210084 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H17N3O3S |
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| Molecular Mass | 235.0991 |
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| SMILES | CC(O)C(CS)NC(=O)C(N)CC(N)=O |
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| InChI Key | DYWDEEIBVWGGFD-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 | asparagine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsprimary carboxylic acid amidessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupfatty amideorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativesalcoholalpha-amino acid amidecarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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