DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:26:33 UTC
Update Date	2025-03-21 18:39:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00125977
Frequency	20.3
Structure
Chemical Formula	C₁₃H₁₈N₄O₃
Molecular Mass	278.1379
SMILES	NC(=O)CC(N)C(=O)NC(Cc1ccccc1)C(N)=O
InChI Key	PMHZPXNTINSQPV-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	alpha amino acid amides alpha amino acids amphetamines and derivatives asparagine and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group fatty amide alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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