DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:28:38 UTC
Update Date	2025-03-21 18:40:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00130949
Frequency	19.4
Structure
Chemical Formula	C₂₀H₂₄N₈O₅
Molecular Mass	456.187
SMILES	N=C(O)C(CCC(=O)O)NC(=O)c1ccc(N2CC3CNc4nc(N)[nH]c(=O)c4N3C2)cc1
InChI Key	DETXBOWAIVAMQN-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 carbonyl compounds carboximidic acids carboxylic acids dialkylarylamines gamma amino acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazopyrazines imidolactams lactams monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylimidazolidines primary amines pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	imidazolidine carboximidic acid monocyclic benzene moiety carbonyl group lactam carboxylic acid phenylimidazolidine imidazopyrazine amino acid or derivatives amino acid gamma amino acid or derivatives 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 secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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