| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:45 UTC |
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| Update Date | 2025-03-21 18:05:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054463 |
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| Frequency | 59.1 |
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| Structure | |
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| Chemical Formula | C22H38N5O6+ |
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| Molecular Mass | 468.2817 |
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| SMILES | NCCc1cc(CCC(N)C(=O)O)c(CCCC(N)C(=O)O)[n+](CCCCC(N)C(=O)O)c1 |
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| InChI Key | DJWVMPXKPSHIFZ-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-halopyridinesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinetricarboxylic acid or derivativesorganic oxidepyridineorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amine2-halopyridineorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
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