DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:24 UTC
Update Date	2025-03-21 18:41:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00134945
Frequency	18.6
Structure
Chemical Formula	C₁₃H₁₈N₄O₄
Molecular Mass	294.1328
SMILES	NC(=O)CC(NC(=O)C(N)Cc1ccc(O)cc1)C(N)=O
InChI Key	XJMAGLHLORAOTN-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 alpha amino acid amides alpha amino acids amphetamines and derivatives asparagine and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives fatty amides hydrocarbon derivatives monoalkylamines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives primary carboxylic acid amides secondary carboxylic acid amides tyrosine and derivatives
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group fatty amide 1-hydroxy-2-unsubstituted benzenoid 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 tyrosine or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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