| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:22 UTC |
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| Update Date | 2025-03-21 18:32:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091647 |
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| Frequency | 48.3 |
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| Structure | |
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| Chemical Formula | C14H23N4O3+ |
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| Molecular Mass | 295.1765 |
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| SMILES | C[N+](C)(C)C(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)O |
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| InChI Key | NRWQNMSWDPVDDN-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsaminesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidstertiary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundn-acylpyrrolidinealpha-amino acid or derivativesorganic oxideimidazolepyrrolidine carboxylic acidtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltpyrrolidineorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesproline or derivativestetraalkylammonium saltazacyclen-acyl-alpha-amino acidquaternary ammonium saltheteroaromatic compoundcarboxamide groupalpha-dipeptidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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