DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:57 UTC
Update Date	2025-03-25 00:59:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237742
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₄N₆O₂
Molecular Mass	262.1178
SMILES	Nc1nc(N)c2nccc(NCCCC(=O)O)c2n1
InChI Key	QPHJRAYJOVDHKZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	gamma amino acids and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-halopyridines amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidolactams monocarboxylic acids and derivatives organic oxides organopnictogen compounds polyhalopyridines primary amines pyridopyrimidines pyrimidines and pyrimidine derivatives secondary alkylarylamines
Substituents	carbonyl group carboxylic acid amino acid gamma amino acid or derivatives polyhalopyridine pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound pyridopyrimidine organopnictogen compound 2-halopyridine imidolactam organoheterocyclic compound azacycle heteroaromatic compound hydroxypyridine secondary amine secondary aliphatic/aromatic amine monocarboxylic acid or derivatives pyridine organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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