DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:53:46 UTC
Update Date	2025-03-21 18:03:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00047611
Frequency	69.9
Structure
Chemical Formula	C₂₀H₂₂N₄O₃
Molecular Mass	366.1692
SMILES	NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)Cc1ccc(O)cc1
InChI Key	YFBAKMIQWMAWMH-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 heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives fatty amides heteroaromatic compounds hydrocarbon derivatives indoles monoalkylamines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives primary carboxylic acid amides pyrroles secondary carboxylic acid amides tyrosine and derivatives
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group indole fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboxamide group n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound pyrrole phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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