| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:19 UTC |
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| Update Date | 2025-03-25 00:47:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160871 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11N3O4 |
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| Molecular Mass | 225.075 |
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| SMILES | Nc1ncccc1C(=O)NCC(O)C(=O)O |
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| InChI Key | FBIUPEHPOXISAW-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha hydroxy acids and derivativesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmonocarboxylic acids and derivativesmonosaccharidesnicotinamidesorganic 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 acidpolyhalopyridinenicotinamidealpha-hydroxy acidmonosaccharidesaccharideorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineimidolactamorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinehydroxy acidcarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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