| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:08 UTC |
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| Update Date | 2025-03-25 00:58:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233586 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22N2O5S |
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| Molecular Mass | 354.1249 |
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| SMILES | Cc1ccc(CSCC(NC(=O)CCC(N)C(=O)O)C(=O)O)cc1 |
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| InChI Key | UKEULGRHZCDCOJ-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 | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativesglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundstoluenes |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidglutamine or derivativesfatty amidealpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide groupn-acyl-aminearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundtolueneorganooxygen compound |
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