DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:35 UTC
Update Date	2025-03-25 01:01:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02250760
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₃N₅O₇
Molecular Mass	457.1597
SMILES	O=C(O)CCC(NC(=O)c1ccc(N2CC3CCc4c([nH]c(=O)[nH]c4=O)N3C2)cc1)C(=O)O
InChI Key	UHEBRXJKMDLVIU-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 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 lactams n-acyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds phenylimidazolidines pyridines and derivatives pyridopyrimidines pyrimidones secondary carboxylic acid amides vinylogous amides
Substituents	imidazolidine monocyclic benzene moiety carbonyl group lactam carboxylic acid phenylimidazolidine benzoyl pyrimidone benzamide pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid pyridopyrimidine organopnictogen compound dialkylarylamine organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide carbonic acid derivative azacycle n-acyl-alpha-amino acid hippuric acid or derivatives aniline or substituted anilines heteroaromatic compound benzoic acid or derivatives glutamic acid or derivatives carboxamide group secondary carboxylic acid amide pyridine organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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