DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:28:34 UTC
Update Date	2025-03-21 18:40:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00130805
Frequency	19.4
Structure
Chemical Formula	C₁₆H₁₉N₇O₂
Molecular Mass	341.16
SMILES	CN(C)C(=O)c1ccc(NCC2=Nc3c([nH]c(N)nc3=O)NC2)cc1
InChI Key	JKTCXQUJVWOCTE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pteridines and derivatives
Subclass	pterins and derivatives
Direct Parent	pterins and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds benzamides benzoyl derivatives carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives ketimines organic oxides organooxygen compounds organopnictogen compounds phenylalkylamines primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines tertiary carboxylic acid amides vinylogous amides
Substituents	ketimine monocyclic benzene moiety amino acid or derivatives imine benzoyl pyrimidone carboxylic acid derivative benzamide pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound tertiary carboxylic acid amide organonitrogen compound organopnictogen compound vinylogous amide pterin azacycle heteroaromatic compound benzoic acid or derivatives organic 1,3-dipolar compound secondary amine carboxamide group secondary aliphatic/aromatic amine organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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