DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:39 UTC
Update Date	2025-03-25 00:54:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207302
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₃N₇O₆
Molecular Mass	457.171
SMILES	Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NCC(CC(=O)O)C(=O)O)cc3)CC1CN2
InChI Key	FGWUMPYPKWFMRD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pteridines and derivatives
Subclass	pterins and derivatives
Direct Parent	pterins and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids aniline and substituted anilines azacyclic compounds benzamides benzoyl derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids dialkylarylamines dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazopyrazines imidolactams lactams organic oxides organopnictogen compounds phenylimidazolidines primary amines pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	imidazolidine monocyclic benzene moiety carbonyl group lactam carboxylic acid phenylimidazolidine imidazopyrazine amino acid or derivatives amino acid benzoyl pyrimidone carboxylic acid derivative benzamide pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound dialkylarylamine imidolactam vinylogous amide pterin azacycle aniline or substituted anilines heteroaromatic compound benzoic acid or derivatives secondary amine carboxamide group beta amino acid or derivatives 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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