DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:33 UTC
Update Date	2025-03-25 00:51:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184254
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₂N₂O₆
Molecular Mass	338.1478
SMILES	NC(CCC(=O)NC(Cc1ccccc1)CC(O)C(=O)O)C(=O)O
InChI Key	KICIKZIJXZJUDV-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	glutamine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids alpha hydroxy acids and derivatives amino fatty acids amphetamines and derivatives benzene and substituted derivatives carbocyclic fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives gamma amino acids and derivatives hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives gamma amino acid or derivatives alpha-hydroxy acid fatty amide fatty acid medium-chain hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid amphetamine or derivatives alcohol hydroxy acid carboxamide group amino fatty acid n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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