| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:20 UTC |
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| Update Date | 2025-03-21 18:36:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111148 |
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| Frequency | 23.9 |
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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 | CC(=O)NC(CSCC(=O)Nc1c(C)cccc1C)C(=O)O |
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| InChI Key | NUPNXEHQXSFUQO-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 | acetamidesalpha amino acidsanilidescarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsm-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidn-arylamideorganosulfur compoundxyleneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidesulfenyl compoundn-acyl-alpha-amino aciddialkylthioetherm-xylenecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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