DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:15 UTC
Update Date	2025-03-25 00:47:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160723
Frequency	0.5
Structure
Chemical Formula	C₂₃H₂₈N₈O₇
Molecular Mass	528.2081
SMILES	Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)NCCC(=O)O)cc3)CC1CN2
InChI Key	IIYYKRLREMWBJC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids aniline and substituted anilines azacyclic compounds benzoyl derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids dialkylarylamines dicarboxylic acids and derivatives 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 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 secondary carboxylic acid amide dicarboxylic acid or derivatives hydrocarbon derivative primary amine amine fatty acyl carbonyl group amino acid fatty amide pyrimidone carboxylic acid derivative 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 beta amino acid or derivatives organic oxygen compound hybrid peptide benzenoid organic nitrogen compound organooxygen compound

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