DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:21:22 UTC
Update Date	2025-03-21 18:37:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00113641
Frequency	30.1
Structure
Chemical Formula	C₉H₁₃N₅O₃
Molecular Mass	239.1018
SMILES	CC(O)C(O)C1C=Nc2c([nH]c(N)nc2=O)N1
InChI Key	RGCXAAJZQIYZBG-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	1,2-diols azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imines organic oxides organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alcohols secondary alkylarylamines vinylogous amides
Substituents	imine pyrimidone pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound 1,2-diol alcohol vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound secondary amine secondary aliphatic/aromatic amine organic oxygen compound secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

Showing information for DMID00113641