| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:43 UTC |
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| Update Date | 2025-03-21 18:33:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094926 |
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| Frequency | 29.2 |
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| Structure | |
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| Chemical Formula | C6H10N2O5S |
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| Molecular Mass | 222.031 |
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| SMILES | NC(CS)C(=O)NC(C(=O)O)C(=O)O |
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| InChI Key | UOFSZDVIVSHSOY-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 | 1,3-dicarbonyl compoundsalkylthiolsalpha amino acid amidesalpha amino acidscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundalkylthiolorganooxygen compound |
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