DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:12 UTC
Update Date	2025-03-25 00:45:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151579
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₀N₄O₆
Molecular Mass	388.1383
SMILES	Cn1cncc1CC(=O)Nc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
InChI Key	FQJOOKBQLKNVGN-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 heteromonocyclic compounds
Alternative Parents	acylaminobenzoic acid and derivatives alpha amino acids anilides azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives imidazoles n-acyl-alpha amino acids n-arylamides n-substituted imidazoles organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound benzoyl n-arylamide benzamide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives acylaminobenzoic acid or derivatives azacycle n-acyl-alpha-amino acid hippuric acid or derivatives heteroaromatic compound benzoic acid or derivatives glutamic acid or derivatives carboxamide group anilide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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