| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:05 UTC |
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| Update Date | 2025-03-21 18:41:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132010 |
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| Frequency | 19.2 |
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| Structure | |
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| Chemical Formula | C23H34N7O6+ |
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| Molecular Mass | 504.2565 |
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| SMILES | Cc1ncc(C[n+]2ccc(CCC(N)C(=O)O)c(CCC(N)C(=O)O)c2CCC(N)C(=O)O)c(N)n1 |
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| InChI Key | HJELMAPYALMSQW-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 | 2-halopyridinesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmethylpyridinesmonoalkylaminesorganic cationsorganic oxidesorganopnictogen compoundspolyhalopyridinespyrimidines and pyrimidine derivativestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpolyhalopyridinetricarboxylic acid or derivativespyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganic cationimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridinepyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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