DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:18 UTC
Update Date	2025-03-25 00:45:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149482
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₉N₃O₇
Molecular Mass	353.1223
SMILES	Nc1ccc(O)c(C(=O)CC(NC(=O)CCC(N)C(=O)O)C(=O)O)c1
InChI Key	GYSDBJPKTHELFH-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	dipeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alkyl-phenylketones alpha amino acids amino acids aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acids dicarboxylic acids and derivatives gamma-keto acids and derivatives glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides vinylogous acids
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone glutamine or derivatives amino acid or derivatives amino acid fatty amide benzoyl 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group n-acyl-amine phenylketone gamma-keto acid butyrophenone aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide vinylogous acid organic oxygen compound keto acid dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

Showing information for DMID02149482