| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:51 UTC |
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| Update Date | 2025-03-25 00:47:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164348 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13N3O4 |
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| Molecular Mass | 239.0906 |
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| SMILES | CC(O)C(NC(=O)c1cccnc1N)C(=O)O |
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| InChI Key | CZKJCXPCINLBFX-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmethylpyridinesmonocarboxylic acids and derivativesnicotinamidesorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary aminespyridinecarboxylic acids and derivativessecondary alcoholssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpolyhalopyridinenicotinamidebeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineimidolactamorganoheterocyclic compoundalcoholvinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundhydroxypyridinemethylpyridinehydroxy acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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