DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:27 UTC
Update Date	2025-03-25 00:56:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02218548
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₄N₆O₅
Molecular Mass	428.1808
SMILES	Cn1cnc2c1NCC1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CN21
InChI Key	HBILNTWFQHBERK-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	alpha amino acids amino acids aniline and substituted anilines azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines dicarboxylic acids and derivatives heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives imidazoles imidazopyrazines imidolactams n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds phenylimidazolidines secondary alkylarylamines secondary carboxylic acid amides
Substituents	imidazolidine monocyclic benzene moiety carbonyl group carboxylic acid phenylimidazolidine imidazopyrazine amino acid benzoyl benzamide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine imidolactam organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid hippuric acid or derivatives aniline or substituted anilines heteroaromatic compound benzoic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

Showing information for DMID02218548