| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:24 UTC |
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| Update Date | 2025-03-25 00:57:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223104 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H29N4O10+ |
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| Molecular Mass | 485.1878 |
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| SMILES | NC(CCCC[n+]1cc(O)c(CC(N)C(=O)O)c(C(=O)NC(CCC(=O)O)C(=O)O)c1)C(=O)O |
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| InChI Key | YJVKYHILJVDDPN-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesn-acyl-alpha amino acidsnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acids and derivativessecondary carboxylic acid amidestetracarboxylic acids and derivativesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinenicotinamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesvinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridinetetracarboxylic acid or derivativesglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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