DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:05 UTC
Update Date	2025-03-21 18:41:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00132016
Frequency	19.2
Structure
Chemical Formula	C₁₅H₁₅N₃O₇
Molecular Mass	349.091
SMILES	O=C(O)CCC(NC(=O)c1ccc(N2CC(=O)NC2=O)cc1)C(=O)O
InChI Key	WFDONJGQJWOMBW-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	alpha amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dicarboximides dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives imidazolidinones n-acyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds phenylhydantoins phenylimidazolidines secondary carboxylic acid amides
Substituents	imidazolidine monocyclic benzene moiety carbonyl group carboxylic acid phenylimidazolidine aromatic heteromonocyclic compound benzoyl benzamide imidazolidinone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide organoheterocyclic compound n-acyl-alpha amino acid or derivatives carbonic acid derivative azacycle n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives glutamic acid or derivatives carboxamide group secondary carboxylic acid amide organic oxygen compound hydantoin dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound 1-phenylhydantoin

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