DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:38 UTC
Update Date	2025-03-21 18:38:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00119143
Frequency	21.9
Structure
Chemical Formula	C₁₉H₁₉N₇O₆
Molecular Mass	441.1397
SMILES	Nc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CC(=O)O)CC(=O)O)cc3)cnc2[nH]1
InChI Key	CILQUBMYLRSWBH-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 azacyclic compounds benzamides benzoyl derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives organic oxides organopnictogen compounds phenylalkylamines primary amines pyrazines pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid benzoyl pyrimidone carboxylic acid derivative benzamide pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound vinylogous amide pterin azacycle 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 pyrazine dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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