| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:24 UTC |
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| Update Date | 2025-03-21 18:40:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130415 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C16H25N4O8+ |
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| Molecular Mass | 401.1667 |
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| SMILES | NC(CCC(O)C[n+]1cc(O)c(CC(N)C(=O)O)c(C(N)C(=O)O)c1)C(=O)O |
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| InChI Key | RPAJJNWSZAJECQ-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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