DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:42 UTC
Update Date	2025-03-21 18:06:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00066217
Frequency	46.1
Structure
Chemical Formula	C₁₅H₂₃N₃O₂
Molecular Mass	277.179
SMILES	CCC(C)C(NC(=O)C(N)Cc1ccccc1)C(N)=O
InChI Key	BJTLBRQDWJFVJB-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 benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives fatty amides hydrocarbon derivatives isoleucine and derivatives monoalkylamines 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 isoleucine or derivatives amphetamine or derivatives n-acyl-alpha amino acid 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 hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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