| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:18 UTC |
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| Update Date | 2025-03-25 00:47:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160828 |
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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 | Nc1ncc(C(=O)CC(N)C(=O)O)cc1O |
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| InChI Key | BPBUKNCJQBUJNI-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesamino acidsaryl alkyl ketonesazacyclic compoundscarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspolyhalopyridines |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundamino acidpolyhalopyridineketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinegamma-keto acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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