DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:27 UTC
Update Date	2025-03-25 00:59:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02238849
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₆N₄O₅
Molecular Mass	366.1903
SMILES	NC(=O)CCC(N)C(Cc1ccc(O)cc1)NC(=O)CCC(N)C(=O)O
InChI Key	FYXLSNRQDKJVIO-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	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives gamma amino acid or derivatives fatty amide 1-hydroxy-2-unsubstituted benzenoid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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