| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:05 UTC |
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| Update Date | 2025-03-21 18:36:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110547 |
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| Frequency | 24.1 |
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| Structure | |
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| Chemical Formula | C15H20N2O5S |
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| Molecular Mass | 340.1093 |
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| SMILES | NC(CSCCC(NC(=O)Cc1ccccc1)C(=O)O)C(=O)O |
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| InChI Key | ZIIUDILWDICAPE-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidessecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamidesulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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