| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:51 UTC |
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| Update Date | 2025-03-25 00:50:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180461 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23N4O3+ |
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| Molecular Mass | 319.1765 |
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| SMILES | C[N+](C)(C)C(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | JPFFWCTZOFIYHO-UHFFFAOYSA-O |
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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 derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidindolealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amidetetraalkylammonium saltazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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