| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:36 UTC |
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| Update Date | 2025-03-21 18:38:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121423 |
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| Frequency | 21.3 |
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| Structure | |
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| Chemical Formula | C16H21N5O3 |
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| Molecular Mass | 331.1644 |
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| SMILES | NC(=O)CCC(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(N)=O |
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| InChI Key | BWPKSMGPOCQSKL-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 acids and derivativesfatty amidesglutamine and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrrolessecondary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupglutamine or derivativesindolefatty amidealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupn-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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