DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:53 UTC
Update Date	2025-03-25 00:53:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02203248
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₂N₄O₆
Molecular Mass	426.1539
SMILES	O=C(O)CCC(NC(=O)c1ccc(NCC2=Nc3ccc(O)cc3CN2)cc1)C(=O)O
InChI Key	FGCTVCYVNBLUTP-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	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amidines amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids diazanaphthalenes dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives imidolactams n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalkylamines propargyl-type 1,3-dipolar organic compounds quinazolines secondary alkylarylamines secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid benzoyl 1-hydroxy-2-unsubstituted benzenoid amidine benzamide propargyl-type 1,3-dipolar organic compound organic oxide diazanaphthalene aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives organic 1,3-dipolar compound glutamic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound quinazoline amine organooxygen compound

Showing information for DMID02203248