DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:02:16 UTC
Update Date	2025-03-21 18:07:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00067569
Frequency	45.0
Structure
Chemical Formula	C₁₈H₁₈N₈O₆
Molecular Mass	442.1349
SMILES	Nc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cn3)cnc2[nH]1
InChI Key	DNELEVLSBMLGAS-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	glutamic acid and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-halopyridines alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidolactams n-acyl-alpha amino acids nicotinamides organic oxides organopnictogen compounds polyhalopyridines primary amines pterins and derivatives pyrazines pyridinecarboxylic acids and derivatives pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	pyridine carboxylic acid or derivatives carbonyl group carboxylic acid amino acid polyhalopyridine nicotinamide pyrimidone pteridine pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound 2-halopyridine imidolactam organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide pterin azacycle n-acyl-alpha-amino acid heteroaromatic compound hydroxypyridine glutamic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide pyridine organic oxygen compound pyrazine dicarboxylic acid or derivatives hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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