DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:52 UTC
Update Date	2025-03-25 00:57:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226327
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₇N₅O₃
Molecular Mass	279.1331
SMILES	CC(O)C(=O)C1=Nc2c([nH]c(N)nc2=O)NC1C(C)C
InChI Key	PTALDHRKVBGZMB-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	acyloins azacyclic compounds heteroaromatic compounds hydrocarbon derivatives ketimines ketones organic oxides organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alcohols secondary alkylarylamines vinylogous amides
Substituents	ketimine carbonyl group imine pyrimidone pyrimidine propargyl-type 1,3-dipolar organic compound ketone organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound alcohol vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound secondary amine secondary aliphatic/aromatic amine organic oxygen compound acyloin secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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