| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:11 UTC |
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| Update Date | 2025-03-25 00:54:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206230 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19N3O3S |
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| Molecular Mass | 297.1147 |
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| SMILES | NC(CCSCC(N)C(=O)Nc1ccccc1)C(=O)O |
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| InChI Key | CQRNCYZGQBBFEI-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 | alpha amino acid amides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsanilidescarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersfatty acylshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidn-arylamideorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundalpha-amino acid amidedialkylthioethercarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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