| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:58 UTC |
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| Update Date | 2025-03-25 00:51:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185226 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10N4O4 |
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| Molecular Mass | 226.0702 |
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| SMILES | NC(=O)c1[nH]cnc1C(=O)CC(N)C(=O)O |
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| InChI Key | YNGKLFQCYXJKKP-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-heteroaryl carboxamidesaryl alkyl ketonesazacyclic compoundscarbonylimidazolescarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compound2-heteroaryl carboxamideketoneorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidazole-4-carbonyl grouporganoheterocyclic compoundazolevinylogous amideazacycleheteroaromatic compoundcarboxamide groupgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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