| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:00 UTC |
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| Update Date | 2025-03-21 18:28:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00074180 |
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| Frequency | 40.1 |
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| Structure | |
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| Chemical Formula | C18H29N4O7+ |
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| Molecular Mass | 413.2031 |
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| SMILES | NC(CCc1c[n+](CC(O)CCC(N)C(=O)O)ccc1CC(N)C(=O)O)C(=O)O |
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| InChI Key | BKSUEJUNCSWOPS-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinetricarboxylic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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