| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:11 UTC |
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| Update Date | 2025-03-25 00:53:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199366 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22N4O2 |
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| Molecular Mass | 314.1743 |
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| SMILES | NC(=O)C1CCCCN1C(=O)C(N)Cc1c[nH]c2ccccc12 |
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| InChI Key | LAJAHQPZNJTBHX-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 derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesn-acylpiperidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxamidesprimary carboxylic acid amidespyrrolestertiary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupindolealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidineorganoheterocyclic compoundalpha-amino acid amideazacyclepiperidinecarboxamideheteroaromatic compoundindole or derivativescarboxamide groupalpha-dipeptiden-acyl-piperidineorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compound2-piperidinecarboxamideorganooxygen compound |
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