DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:05:22 UTC
Update Date	2025-03-25 00:55:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02213781
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₆N₂O₅
Molecular Mass	280.1059
SMILES	CNC(Cc1ccccc1)C(=O)NC(C(=O)O)C(=O)O
InChI Key	WPTXMDRAOXIQLU-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	1,3-dicarbonyl compounds alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives benzene and substituted derivatives carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty amides hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino 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 secondary aliphatic amine alpha-amino acid amide n-acyl-alpha-amino acid secondary amine carboxamide group n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound amine

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