| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:43 UTC |
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| Update Date | 2025-03-21 18:03:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045093 |
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| Frequency | 74.8 |
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| Structure | |
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| Chemical Formula | C5H11N3O2S |
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| Molecular Mass | 177.0572 |
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| SMILES | NC(=O)CNC(=O)C(N)CS |
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| InChI Key | LYGBCADYATVSNQ-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 | alkylthiolsalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acids and derivativescysteine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsprimary carboxylic acid amidessecondary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidealiphatic acyclic compoundcarbonyl groupalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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