DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:47:36 UTC
Update Date	2025-03-21 18:01:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00032750
Frequency	111.3
Structure
Chemical Formula	C₁₄H₁₈N₂O₅
Molecular Mass	294.1216
SMILES	CC(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	MGCQYONMKWBSKL-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	acetamides alpha amino acid amides alpha 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 organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids primary alcohols secondary carboxylic acid amides serine and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol acetamide amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol 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 monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound serine or derivatives organooxygen compound

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