DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:17 UTC
Update Date	2025-03-21 18:05:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00058110
Frequency	54.5
Structure
Chemical Formula	C₁₂H₁₆N₂O₃
Molecular Mass	236.1161
SMILES	CC(NC(Cc1ccccc1)C(N)=O)C(=O)O
InChI Key	GKYJVSMCJBUTKK-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	phenylalanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alanine and derivatives alpha amino acids amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines fatty amides hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid amino acid fatty amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives secondary aliphatic amine secondary amine carboxamide group aromatic homomonocyclic compound monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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