DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:08:23 UTC
Update Date	2025-03-21 18:30:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00082294
Frequency	35.1
Structure
Chemical Formula	C₁₄H₁₈N₂O₅
Molecular Mass	294.1216
SMILES	CC(C(=O)O)C(NC(=O)C(N)Cc1ccccc1)C(=O)O
InChI Key	HGOQWTSLRFLQEH-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 dicarboxylic acids and derivatives fatty amides hydrocarbon derivatives monoalkylamines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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