DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:09:12 UTC
Update Date	2025-03-21 18:31:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00084243
Frequency	34.1
Structure
Chemical Formula	C₂₀H₂₃N₇O₆
Molecular Mass	457.171
SMILES	Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(NC(=O)CCC(=O)O)C(=O)O)cc3)CC1CN2
InChI Key	JZVXKTCVTFTZBD-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	n-acyl-alpha amino acids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids aniline and substituted anilines azacyclic compounds carbonyl compounds carboxylic acids dialkylarylamines dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazopyrazines imidolactams lactams n-acyl amines organic oxides organopnictogen compounds phenylimidazolidines primary amines pterins and derivatives pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	imidazolidine fatty acyl monocyclic benzene moiety carbonyl group lactam carboxylic acid phenylimidazolidine imidazopyrazine amino acid fatty amide pyrimidone pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine imidolactam organoheterocyclic compound vinylogous amide pterin azacycle n-acyl-alpha-amino acid aniline or substituted anilines heteroaromatic compound secondary amine carboxamide group n-acyl-amine secondary aliphatic/aromatic amine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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