| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:39 UTC |
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| Update Date | 2025-03-21 18:03:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044927 |
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| Frequency | 75.1 |
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| Structure | |
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| Chemical Formula | C16H20N4O2 |
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| Molecular Mass | 300.1586 |
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| SMILES | NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1 |
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| InChI Key | PBCLJWDQUILYAL-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 derivativesdialkylaminesfatty amidesheteroaromatic compoundshydrocarbon derivativesindolesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidesproline and derivativespyrrolespyrrolidinecarboxamidessecondary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupamino acid or derivativesindolefatty amidealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativessecondary aliphatic aminealpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativessecondary aminecarboxamide groupn-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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