DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:39:48 UTC
Update Date	2025-03-21 17:58:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00014973
Frequency	391.7
Structure
Chemical Formula	C₉H₁₃N₅O₃
Molecular Mass	239.1018
SMILES	CC(O)C(O)C1=Nc2[nH]c(N)nc(=O)c2NC1
InChI Key	PXAGNFWUJLJAQZ-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 ketimines organic oxides organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alcohols secondary alkylarylamines vinylogous amides
Substituents	ketimine 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 DMID00014973