| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:03 UTC |
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| Update Date | 2025-03-21 18:38:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120084 |
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| Frequency | 21.7 |
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| Structure | |
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| Chemical Formula | C16H18N4O3 |
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| Molecular Mass | 314.1379 |
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| SMILES | NC(Cc1c[nH]cn1)C(=O)N1Cc2ccccc2CC1C(=O)O |
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| InChI Key | SOMMQQWLIGMQQM-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 | dipeptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | carbonyl groupcarboxylic acidalpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundimidazoletertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolealpha-amino acid amideazacycleheteroaromatic compoundcarboxamide groupalpha-dipeptidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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