| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:49 UTC |
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| Update Date | 2025-03-21 18:31:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085673 |
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| Frequency | 33.3 |
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| Structure | |
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| Chemical Formula | C12H15N2O5+ |
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| Molecular Mass | 267.0975 |
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| SMILES | C[n+]1cccc(C(=O)NC(CCC(=O)O)C(=O)O)c1 |
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| InChI Key | JEGQUICGGGGSRI-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 acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesn-acyl-alpha amino acidsn-methylpyridinium compoundsnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridinecarboxylic acids and derivativessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidn-methylpyridiniumaromatic heteromonocyclic compoundnicotinamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesvinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridineglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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