| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:33 UTC |
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| Update Date | 2025-03-25 01:00:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241366 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O2S |
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| Molecular Mass | 236.0619 |
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| SMILES | CC(=O)NC1CSc2ccccc2NC1=O |
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| InChI Key | YYHVUHBAOWLTGM-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 heteropolycyclic compounds |
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| Alternative Parents | acetamidesalkylarylthioethersalpha amino acidsazacyclic compoundsbenzenoidsbenzothiazepinescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamalkylarylthioetheraryl thioetherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzothiazepineorganoheterocyclic compoundacetamideazacyclen-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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