DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:58 UTC
Update Date	2025-03-25 00:47:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02162346
Frequency	0.5
Structure
Chemical Formula	C₂₁H₁₉N₃O₆
Molecular Mass	409.1274
SMILES	O=C(O)CCC(NC(=O)c1ccc(Nc2ccc3[nH]c(=O)ccc3c2)cc1)C(=O)O
InChI Key	FXRASGTXHOFDSY-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 benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives hydroquinolines hydroquinolones hydroxypyridines lactams n-acyl-alpha amino acids organic oxides organopnictogen compounds polyhalopyridines pyridinones secondary amines secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group lactam carboxylic acid amino acid polyhalopyridine benzoyl benzamide organic oxide aromatic heteropolycyclic compound organonitrogen compound quinoline alpha-amino acid organopnictogen compound 2-halopyridine organoheterocyclic compound n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid hippuric acid or derivatives heteroaromatic compound hydroxypyridine dihydroquinoline benzoic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group secondary carboxylic acid amide dihydroquinolone pyridine organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound pyridinone organooxygen compound amine

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