DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:54:15 UTC
Update Date	2025-03-21 18:04:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00048726
Frequency	67.9
Structure
Chemical Formula	C₁₃H₁₁N₅O₂
Molecular Mass	269.0913
SMILES	Nc1nc(=O)c2c([nH]1)NCC(C(=O)c1ccccc1)=N2
InChI Key	HCSDSPZJGBDJCH-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	aryl ketones azacyclic compounds benzoyl derivatives heteroaromatic compounds hydrocarbon derivatives ketimines organic oxides organooxygen compounds organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines vinylogous amides
Substituents	ketimine monocyclic benzene moiety imine benzoyl pyrimidone pyrimidine propargyl-type 1,3-dipolar organic compound ketone organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound secondary amine secondary aliphatic/aromatic amine organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound aryl ketone

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