| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:11 UTC |
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| Update Date | 2025-03-25 00:50:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178930 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22N2O5S |
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| Molecular Mass | 378.1249 |
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| SMILES | CSCCC(NC(=O)C1CCC(=O)N1C(=O)Cc1ccccc1)C(=O)O |
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| InChI Key | DIYDIBPFQPKJNQ-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboximidesfatty acylshydrocarbon derivativesmethionine and derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesn-substituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidesproline and derivativespyrrolidine-2-onespyrrolidinecarboxamidessecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acyl2-pyrrolidonemonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundn-acylpyrrolidinealpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximidepyrrolidinecarboxylic acid imide, n-substitutedpyrrolidonephenylacetamideorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativesalpha-amino acid amidesulfenyl compoundazacyclen-acyl-alpha-amino aciddialkylthioethercarboxamide groupcarboxylic acid imidealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidpyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compound |
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