| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:36 UTC |
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| Update Date | 2025-03-25 00:53:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198000 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17N3OS |
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| Molecular Mass | 239.1092 |
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| SMILES | CSCCC(N)C(=O)Nc1ccccc1N |
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| InChI Key | NKTRURIVSYLYCM-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 | methionine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsanilidescarbonyl compoundscarboxylic acids and derivativesdialkylthioethersfatty amideshydrocarbon derivativesmonoalkylaminesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupfatty amiden-arylamideorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundalpha-amino acid amidedialkylthioethercarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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