DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:19:32 UTC
Update Date	2025-03-21 18:36:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00109217
Frequency	24.5
Structure
Chemical Formula	C₁₃H₁₈N₂O₅
Molecular Mass	282.1216
SMILES	NC(CCC(=O)NCCc1ccc(O)c(O)c1)C(=O)O
InChI Key	GWXHLUFZIKVZOE-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 1-hydroxy-4-unsubstituted benzenoids alpha amino acids benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyldopamines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives fatty amide 1-hydroxy-2-unsubstituted benzenoid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyldopamine 1-hydroxy-4-unsubstituted benzenoid 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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