DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:34 UTC
Update Date	2025-03-25 00:51:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186640
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₉N₃O₅
Molecular Mass	309.1325
SMILES	Nc1ccc(C(CC(=O)O)NC(=O)CCC(N)C(=O)O)cc1
InChI Key	QPRIKZUNJQOHDQ-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 acids benzene and substituted derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organopnictogen compounds phenylpropanoic acids secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives 3-phenylpropanoic-acid amino acid fatty amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound carboxamide group n-acyl-amine beta amino acid or derivatives aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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