DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:51 UTC
Update Date	2025-03-25 00:47:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02164367
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₉N₃O₄
Molecular Mass	293.1376
SMILES	CC(NC(=O)C(N)CCC(=O)c1ccccc1N)C(=O)O
InChI Key	JIXUJGITZMYZMC-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	alanine and derivatives alkyl-phenylketones alpha amino acid amides alpha amino acids amino acids aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylbutylamines secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid fatty amide benzoyl alpha-amino acid or derivatives ketone organic oxide phenylbutylamine organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives vinylogous amide alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine phenylketone butyrophenone aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

Showing information for DMID02164367