DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:13 UTC
Update Date	2025-03-21 18:05:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00055561
Frequency	75.2
Structure
Chemical Formula	C₁₃H₁₈N₂O₃
Molecular Mass	250.1317
SMILES	CN(C)CC(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	PKCDIPNDACJRBZ-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 amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides trialkylamines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid or derivatives amino acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound tertiary amine amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid tertiary aliphatic amine carboxamide group aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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