| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:17 UTC |
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| Update Date | 2025-03-21 18:37:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118315 |
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| Frequency | 22.1 |
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| Structure | |
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| Chemical Formula | C14H20N3O7+ |
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| Molecular Mass | 342.1296 |
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| SMILES | NC(=O)c1cc(CC(N)C(=O)O)c[n+](C2OC(CO)C(O)C2O)c1 |
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| InChI Key | MPFLBWBJLDDDIU-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 derivativesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary alcoholsprimary carboxylic acid amidespyridinecarboxylic acids and derivativessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinenicotinamidemonosaccharidesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationprimary alcoholorganoheterocyclic compoundalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide groupoxacyclemonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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