| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:35 UTC |
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| Update Date | 2025-03-25 00:51:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186686 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9N3O5 |
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| Molecular Mass | 239.0542 |
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| SMILES | Nc1cc(C(=O)O)nc(C(=O)NCC(=O)O)c1 |
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| InChI Key | UFAVBTRJDUDRIY-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridines2-heteroaryl carboxamidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary aminespyridine-2-carboxylic acidssecondary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpolyhalopyridine2-heteroaryl carboxamideorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupn-acylglycinesecondary carboxylic acid amidepyridineorganic oxygen compoundpyridine carboxylic aciddicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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