DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:27 UTC
Update Date	2025-03-21 18:40:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00128143
Frequency	19.9
Structure
Chemical Formula	C₂₀H₂₅N₇O₆
Molecular Mass	459.1866
SMILES	CN1c2c(nc(N)[nH]c2=O)NCC1CNc1ccc(C(=O)NC(=O)CCC(O)C(=O)O)cc1
InChI Key	DOUARNJNJUGMFC-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	alpha hydroxy acids and derivatives amino acids azacyclic compounds benzoic acids and derivatives benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines dicarboximides heteroaromatic compounds hydrocarbon derivatives imidolactams lactams monocarboxylic acids and derivatives monosaccharides n-acyl amines n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds phenylalkylamines primary amines pyrimidones secondary alcohols secondary alkylarylamines vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group lactam carboxylic acid amino acid or derivatives amino acid alpha-hydroxy acid benzoyl monosaccharide pyrimidone carboxylic acid derivative pyrimidine carboxylic acid imide, n-unsubstituted saccharide organic oxide aromatic heteropolycyclic compound tertiary aliphatic/aromatic amine organonitrogen compound organopnictogen compound dicarboximide dialkylarylamine imidolactam tertiary amine alcohol vinylogous amide pterin azacycle heteroaromatic compound benzoic acid or derivatives hydroxy acid secondary amine n-acyl-amine secondary aliphatic/aromatic amine carboxylic acid imide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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