| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:12 UTC |
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| Update Date | 2025-03-21 18:37:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115686 |
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| Frequency | 22.7 |
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| Structure | |
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| Chemical Formula | C15H20N2O4S |
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| Molecular Mass | 324.1144 |
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| SMILES | CSCCC(NC(=O)Cc1ccccc1)C(=O)NCC(=O)O |
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| InChI Key | ZQOBNWOOGJYALN-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersdipeptideshydrocarbon derivativesmethionine and derivativesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidessecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amideorganosulfur compoundalpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamidesulfenyl compoundalpha-amino acid amidedialkylthioethercarboxamide groupn-acyl-aminen-acylglycinearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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