| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:57 UTC |
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| Update Date | 2025-03-25 00:51:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185179 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11N3O7 |
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| Molecular Mass | 297.0597 |
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| SMILES | NC(=O)c1cc(C(=O)NC(CC(=O)O)C(=O)O)c[n+]([O-])c1 |
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| InChI Key | WVTUQERUQNXSQE-UHFFFAOYSA-N |
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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 | aspartic 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 acidsnicotinamidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidespyridinecarboxylic acids and derivativessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinenicotinamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesvinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridinecarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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