DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:37:05 UTC
Update Date	2025-03-21 17:57:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00008668
Frequency	570.9
Structure
Chemical Formula	C₈H₁₁N₅O₃
Molecular Mass	225.0862
SMILES	Nc1nc(=O)c2c([nH]1)NCC(C(O)CO)=N2
InChI Key	CZWSTQHNBOKYLR-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 alcohols 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 primary alcohol 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

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