DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:40:23 UTC
Update Date	2025-03-21 17:58:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00016229
Frequency	263.8
Structure
Chemical Formula	C₉H₁₆N₂O₆
Molecular Mass	248.1008
SMILES	NC(CCC(=O)NCCC(O)C(=O)O)C(=O)O
InChI Key	WJVQDBBZILPYQB-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 alpha hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives gamma amino acids and derivatives hydrocarbon derivatives hydroxy fatty acids monoalkylamines monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives gamma amino acid or derivatives alpha-hydroxy acid fatty amide monosaccharide fatty acid saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid alcohol hydroxy acid carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID00016229