DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:17 UTC
Update Date	2025-03-25 00:45:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151811
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₂N₂O₆
Molecular Mass	350.1478
SMILES	NC(CCC(=O)NC(CCC(=O)O)C(=O)Cc1ccccc1)C(=O)O
InChI Key	KDAWVWSOKAQQCK-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 amino fatty acids benzene and substituted derivatives carbocyclic fatty acids carboxylic acids dicarboxylic acids and derivatives gamma amino acids and derivatives hydrocarbon derivatives ketones medium-chain fatty acids monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds 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 fatty amide fatty acid ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid carboxamide group amino fatty acid n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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