DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:15:04 UTC
Update Date	2025-03-21 18:33:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00098234
Frequency	28.0
Structure
Chemical Formula	C₂₀H₂₃N₇O₈
Molecular Mass	489.1608
SMILES	Nc1nc(=O)c2c([nH]1)NC(C(=O)O)C(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)N2
InChI Key	PLNQODOFSOELKV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pteridines and derivatives
Subclass	pterins and derivatives
Direct Parent	pterin carboxylates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids glutamic acid and derivatives heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalkylamines primary amines pyrimidones secondary alkylarylamines secondary carboxylic acid amides tricarboxylic acids and derivatives vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid benzoyl pyrimidone tricarboxylic acid or derivatives alpha-amino acid or derivatives carboxylic acid derivative benzamide pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives vinylogous amide azacycle n-acyl-alpha-amino acid hippuric acid or derivatives heteroaromatic compound benzoic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine pterin-7-carboxylate secondary carboxylic acid amide organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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