| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:53 UTC |
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| Update Date | 2025-03-21 18:32:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092918 |
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| Frequency | 30.1 |
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| Structure | |
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| Chemical Formula | C11H12ClN3O |
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| Molecular Mass | 237.0669 |
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| SMILES | NC(=O)C(N)Cc1c[nH]c2ccc(Cl)cc12 |
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| InChI Key | NWGXJIOQIPUREH-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 acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrroles |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupindoleorganochloridefatty amideorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundaryl chlorideazacycleheteroaromatic compoundindole or derivativescarboxamide grouparyl halideorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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