| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:43 UTC |
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| Update Date | 2025-03-25 01:01:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248725 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21N6O2+ |
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| Molecular Mass | 305.172 |
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| SMILES | Cc1ncc(C[n+]2cn(C)cc2CCC(N)C(=O)O)c(N)n1 |
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| InChI Key | QMWZQFQUFVTALM-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesn-substituted imidazolesorganic cationsorganic oxidesorganopnictogen compoundspyrimidines and pyrimidine derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpyrimidineorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationimidolactamorganoheterocyclic compoundazolen-substituted imidazoleazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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