| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:22 UTC |
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| Update Date | 2025-03-21 18:34:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098963 |
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| Frequency | 27.8 |
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| Structure | |
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| Chemical Formula | C11H16N3O4+ |
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| Molecular Mass | 254.1135 |
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| SMILES | NC(=O)c1ccc[n+](CC(O)CC(N)C(=O)O)c1 |
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| InChI Key | VZLJDHDNPWZVMY-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 derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyridinecarboxylic acids and derivativessecondary alcoholsvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundnicotinamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupmonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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