| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:06 UTC |
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| Update Date | 2025-03-21 18:06:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062425 |
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| Frequency | 49.7 |
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| Structure | |
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| Chemical Formula | C11H13N3O5 |
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| Molecular Mass | 267.0855 |
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| SMILES | Nc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)nc1 |
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| InChI Key | UEUNXULDSFUCHK-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 | glutamic acid and derivatives |
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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 derivativeshydroxypyridinesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary aminespyridinecarboxylic acids and derivativessecondary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpolyhalopyridine2-heteroaryl carboxamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridineglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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