DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:51:46 UTC
Update Date	2025-03-21 18:03:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00042767
Frequency	79.8
Structure
Chemical Formula	C₁₂H₁₁N₅O₂
Molecular Mass	257.0913
SMILES	Nc1nc(=O)c2c([nH]1)NCC(c1ccc(O)cc1)=N2
InChI Key	XPUUZIQNRCWUTA-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-hydroxy-2-unsubstituted benzenoids azacyclic compounds benzene and substituted derivatives heteroaromatic compounds hydrocarbon derivatives ketimines organic oxides organooxygen compounds organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines vinylogous amides
Substituents	ketimine monocyclic benzene moiety imine 1-hydroxy-2-unsubstituted benzenoid pyrimidone pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound secondary amine secondary aliphatic/aromatic amine organic oxygen compound phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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