| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:19 UTC |
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| Update Date | 2025-03-25 01:00:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240825 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22N2O4S |
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| Molecular Mass | 338.13 |
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| SMILES | CC(C)C(NC(=O)C(CS)NC(=O)Cc1ccccc1)C(=O)O |
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| InChI Key | GHKVIBLDOGCQDR-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 | alkylthiolsalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsphenylacetamidessecondary carboxylic acid amidesvaline and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamiden-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidvaline or derivativescarboxamide groupn-substituted-alpha-amino acidaromatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundalkylthiolorganooxygen compound |
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