DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:44:48 UTC
Update Date	2025-03-21 18:00:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00026210
Frequency	164.6
Structure
Chemical Formula	C₂₀H₂₀N₆O₆
Molecular Mass	440.1444
SMILES	Nc1nc(=O)c2cc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2[nH]1
InChI Key	NFARHPAOOHOWAL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	glutamic acid and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-halopyridines alpha amino acids amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives hydroxypyridines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalkylamines polyhalopyridines primary amines pyrido[2,3-d]pyrimidines pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid polyhalopyridine benzoyl pyrimidone benzamide pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid pyridopyrimidine organopnictogen compound 2-halopyridine organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide azacycle n-acyl-alpha-amino acid hippuric acid or derivatives heteroaromatic compound hydroxypyridine benzoic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide pyridine organic oxygen compound pyrido[2,3-d]pyrimidine dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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