| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:47 UTC |
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| Update Date | 2025-03-25 00:57:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223988 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15N3O3 |
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| Molecular Mass | 261.1113 |
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| SMILES | NC(=O)Cc1cn(CC(N)C(=O)O)c2ccccc12 |
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| InChI Key | YUDKPNCTWILHNC-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 | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesn-alkylindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessubstituted pyrroles |
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| Substituents | primary carboxylic acid amidecarbonyl groupn-alkylindolecarboxylic acidindolesubstituted pyrroleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativescarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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