DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:54:37 UTC
Update Date	2025-03-21 18:04:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00049636
Frequency	66.4
Structure
Chemical Formula	C₁₄H₁₉N₃O₂
Molecular Mass	261.1477
SMILES	NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1
InChI Key	QWKXKQOEFDFKMB-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 heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives dialkylamines fatty amides hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group aromatic heteromonocyclic compound amino acid or derivatives fatty amide alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid secondary amine carboxamide group n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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