DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:59 UTC
Update Date	2025-03-25 00:49:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02176166
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₅N₇O₆
Molecular Mass	459.1866
SMILES	Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC4OC(CO)C(O)C4O)cc3)CC1CN2
InChI Key	PBDCXBPCOJVQQX-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 and derivatives aniline and substituted anilines azacyclic compounds benzamides benzoyl derivatives carboxylic acids and derivatives dialkylarylamines heteroaromatic compounds hydrocarbon derivatives imidazopyrazines imidolactams lactams monosaccharides organic oxides organopnictogen compounds oxacyclic compounds phenylimidazolidines primary alcohols primary amines pyrimidones secondary alcohols secondary alkylarylamines secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	imidazolidine monocyclic benzene moiety lactam phenylimidazolidine imidazopyrazine amino acid or derivatives benzoyl monosaccharide pyrimidone carboxylic acid derivative benzamide pyrimidine saccharide organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound dialkylarylamine primary alcohol imidolactam alcohol vinylogous amide pterin azacycle tetrahydrofuran aniline or substituted anilines heteroaromatic compound benzoic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

Showing information for DMID02176166