DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:57 UTC
Update Date	2025-03-25 00:51:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185190
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₂N₇O+
Molecular Mass	282.1098
SMILES	NC(=O)c1ccc[n+](Cc2cnc3ncnc(N)c3n2)c1
InChI Key	BNKRDHLDZURWKA-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pteridines and derivatives
Subclass	pteridines and derivatives
Direct Parent	pteridines and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams nicotinamides organic cations organic oxides organooxygen compounds organopnictogen compounds primary amines primary carboxylic acid amides pyrazines pyridinecarboxylic acids and derivatives pyrimidines and pyrimidine derivatives vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives amino acid or derivatives nicotinamide pteridine carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound organic cation imidolactam vinylogous amide azacycle heteroaromatic compound carboxamide group pyridine organic oxygen compound pyrazine hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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