DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:12 UTC
Update Date	2025-03-25 00:51:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185792
Frequency	0.5
Structure
Chemical Formula	C₂₄H₂₈N₈O₉
Molecular Mass	572.1979
SMILES	Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)O)cc3)CC1CN2
InChI Key	YVRIYTXVVJNUGI-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	dipeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids aniline and substituted anilines aspartic acid and derivatives azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines glutamic acid and derivatives heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives imidazopyrazines imidolactams lactams n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylimidazolidines primary amines pterins and derivatives pyrimidones secondary alkylarylamines secondary carboxylic acid amides tricarboxylic acids and derivatives vinylogous amides
Substituents	imidazolidine monocyclic benzene moiety lactam carboxylic acid phenylimidazolidine imidazopyrazine amino acid or derivatives benzoyl alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide pterin alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound glutamic acid or derivatives n-substituted-alpha-amino acid secondary aliphatic/aromatic amine alpha-dipeptide secondary carboxylic acid amide aspartic acid or derivatives hydrocarbon derivative primary amine amine fatty acyl carbonyl group amino acid fatty amide pyrimidone tricarboxylic acid or derivatives benzamide pyrimidine organic oxide aromatic heteropolycyclic compound organopnictogen compound dialkylarylamine imidolactam hippuric acid or derivatives aniline or substituted anilines benzoic acid or derivatives secondary amine carboxamide group n-acyl-amine organic oxygen compound benzenoid organic nitrogen compound organooxygen compound

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