DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:56:45 UTC
Update Date	2025-03-21 18:05:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00054461
Frequency	59.1
Structure
Chemical Formula	C₉H₁₃N₅O₂
Molecular Mass	223.1069
SMILES	CC(C)(O)C1=Nc2c([nH]c(N)nc2=O)NC1
InChI Key	MGXHXBUSVKDQDF-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	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives ketimines organic oxides organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines tertiary alcohols vinylogous amides
Substituents	ketimine imine pyrimidone pyrimidine propargyl-type 1,3-dipolar organic compound 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 tertiary alcohol organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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