Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:38:29 UTC |
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Update Date | 2025-03-21 17:58:04 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00011953 |
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Frequency | 383.7 |
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Structure | |
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Chemical Formula | C17H24N3O3+ |
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Molecular Mass | 318.1812 |
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SMILES | CC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)[N+](C)(C)C |
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InChI Key | GDTFSVAWCKEVEG-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 | alanine and derivativesalpha amino acid amidesalpha amino acidsaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic cationsorganic oxidesorganic saltsorganopnictogen 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 acidquaternary ammonium saltheteroaromatic compoundindole or derivativescarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolealanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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