| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:47:56 UTC |
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| Update Date | 2025-03-21 18:01:35 UTC |
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| HMDB ID | HMDB0028770 |
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| Metabolite Identification |
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| DeepMet ID | DMID00033587 |
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| Name | Cysteinyl-Asparagine |
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| Frequency | 107.9 |
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| Structure | |
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| Chemical Formula | C7H13N3O4S |
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| Molecular Mass | 235.0627 |
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| SMILES | NC(=O)CC(NC(=O)C(N)CS)C(=O)O |
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| InChI Key | AYKQJQVWUYEZNU-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 acidsasparagine and derivativescarbonyl compoundscarboxylic acidscysteine and derivativesfatty acids and conjugatesfatty amideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsprimary carboxylic acid amidessecondary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativesn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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