| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:21 UTC |
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| Update Date | 2025-03-25 00:47:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160975 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22N4O3 |
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| Molecular Mass | 330.1692 |
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| SMILES | NC1CCC(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)NC1 |
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| InChI Key | UXFRGILWYBVBSK-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 acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundspiperidinecarboxamidespiperidinespyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidindolealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativessecondary aliphatic aminealpha-amino acid amideazacyclen-acyl-alpha-amino acidpiperidinecarboxamideheteroaromatic compoundindole or derivativessecondary aminecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compound2-piperidinecarboxamideorganooxygen compoundamine |
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