DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:20:30 UTC
Update Date	2025-03-21 18:36:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00111572
Frequency	23.8
Structure
Chemical Formula	C₁₀H₁₈N₂O₆
Molecular Mass	262.1165
SMILES	NC(CCC(=O)NC(CO)CCC(=O)O)C(=O)O
InChI Key	XOLXPAQTCOPNCS-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 acids dicarboxylic acids and derivatives fatty acids and conjugates gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds primary 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 fatty amide fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol alcohol carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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