DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:38 UTC
Update Date	2025-03-25 00:54:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207245
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₃N₅O₃
Molecular Mass	251.1018
SMILES	Nc1nc(N)c2ccc(C(O)C(O)CO)nc2n1
InChI Key	YPEXIAUTJDMOIO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pyridopyrimidines
Subclass	pyrido[2,3-d]pyrimidines
Direct Parent	pyrido[2,3-d]pyrimidines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-halopyridines aromatic alcohols azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidolactams organopnictogen compounds polyhalopyridines primary alcohols primary amines pyrimidines and pyrimidine derivatives secondary alcohols
Substituents	aromatic alcohol polyhalopyridine pyrimidine aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound 2-halopyridine primary alcohol imidolactam alcohol azacycle heteroaromatic compound hydroxypyridine pyridine organic oxygen compound pyrido[2,3-d]pyrimidine secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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