| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:11 UTC |
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| Update Date | 2025-03-25 00:51:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188066 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N4O6 |
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| Molecular Mass | 310.0913 |
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| SMILES | CC(=O)Nc1ccc(C(=O)NC(CC(=O)O)C(=O)O)nc1N |
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| InChI Key | MTYVYDQYTUSZCZ-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 | 2-halopyridines2-heteroaryl carboxamidesacetamidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmethylpyridinesn-acetylarylaminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary aminespyridinecarboxylic acids and derivativessecondary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundamino acidpolyhalopyridinen-arylamide2-heteroaryl carboxamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineimidolactamorganoheterocyclic compoundacetamiden-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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