DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:21 UTC
Update Date	2025-03-25 01:01:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252493
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₀N₂O₉
Molecular Mass	396.1169
SMILES	NC(CCC(=O)NC(CCC(=O)O)OC(=O)c1ccccc1C(=O)O)C(=O)O
InChI Key	ZYHJWZPEINEVIK-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-carboxy-2-haloaromatic compounds alpha amino acids benzoic acid esters benzoic acids benzoyl derivatives carbonyl compounds carboxylic acid esters gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides tetracarboxylic acids and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives gamma amino acid or derivatives fatty amide benzoyl benzoate ester organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid benzoic acid or derivatives tetracarboxylic acid or derivatives carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound carboxylic acid ester hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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