DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:16 UTC
Update Date	2025-03-21 18:06:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00065150
Frequency	47.1
Structure
Chemical Formula	C₂₁H₂₃N₇O₈
Molecular Mass	501.1608
SMILES	Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1C(C(=O)O)N2
InChI Key	VJDARYIMUBCPFX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pteridines and derivatives
Subclass	pterins and derivatives
Direct Parent	pterin carboxylates
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 glutamic acid and derivatives heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives imidazopyrazines imidolactams lactams n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylimidazolidines primary amines pyrimidones secondary alkylarylamines secondary carboxylic acid amides tricarboxylic acids and derivatives vinylogous amides
Substituents	imidazolidine monocyclic benzene moiety carbonyl group lactam carboxylic acid phenylimidazolidine imidazopyrazine amino acid or derivatives amino acid benzoyl pyrimidone tricarboxylic acid or derivatives alpha-amino acid or derivatives carboxylic acid derivative benzamide pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine imidolactam n-acyl-alpha amino acid or derivatives vinylogous amide 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 pterin-7-carboxylate secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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