DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:07 UTC
Update Date	2025-03-21 18:29:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00076838
Frequency	47.5
Structure
Chemical Formula	C₆H₅N₅O₃
Molecular Mass	195.0392
SMILES	Nc1nn2cc(C(=O)O)nc2c(=O)[nH]1
InChI Key	XKQZUGGPBIPMJJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	azoles
Subclass	imidazoles
Direct Parent	carbonylimidazoles
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2,4-triazines amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles lactams monocarboxylic acids and derivatives n-substituted imidazoles organic oxides organopnictogen compounds primary amines vinylogous amides
Substituents	carbonyl group lactam carboxylic acid amino acid or derivatives amino acid carboxylic acid derivative organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound imidazole-4-carbonyl group n-substituted imidazole vinylogous amide azacycle heteroaromatic compound monocarboxylic acid or derivatives organic oxygen compound triazine hydrocarbon derivative primary amine organic nitrogen compound 1,2,4-triazine amine organooxygen compound

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