| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:25 UTC |
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| Update Date | 2025-03-21 18:35:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106453 |
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| Frequency | 25.3 |
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| Structure | |
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| Chemical Formula | C16H28N3O4+ |
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| Molecular Mass | 326.2074 |
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| SMILES | CC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O)[N+](C)(C)C |
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| InChI Key | CSNXVGIDSYGKFB-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 | oligopeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsaminesazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidspyrrolidinecarboxamidestertiary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidn-acylpyrrolidinealpha-amino acid or derivativesorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativesalpha-amino acid amidetetraalkylammonium saltazacyclen-acyl-alpha-amino acidquaternary ammonium saltcarboxamide groupmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativealpha-oligopeptideorganic nitrogen compoundpyrrolidine-2-carboxamideamineorganooxygen compound |
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