DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:03 UTC
Update Date	2025-03-25 00:54:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205938
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₀N₂O₉
Molecular Mass	348.1169
SMILES	NC(CCC(=O)NC(CCC(=O)O)OC(=O)CCC(=O)O)C(=O)O
InChI Key	VWLNPJNWHBATBQ-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	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acid esters carboxylic acids fatty 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 aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives gamma amino acid or derivatives fatty amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound tetracarboxylic acid or derivatives carboxamide group n-acyl-amine secondary carboxylic acid amide fatty acid ester organic oxygen compound carboxylic acid ester hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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