DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:38 UTC
Update Date	2025-03-21 18:40:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00128604
Frequency	19.8
Structure
Chemical Formula	C₈H₁₄N₂O₃
Molecular Mass	186.1004
SMILES	CN(C)CCN1C(=O)CC(O)C1=O
InChI Key	MCUQXKIJHSYFIM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	carboxylic acid derivatives
Direct Parent	n-substituted carboxylic acid imides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dicarboximides hydrocarbon derivatives n-alkylpyrrolidines organic oxides organopnictogen compounds pyrrolidine-2-ones secondary alcohols trialkylamines
Substituents	2-pyrrolidone carbonyl group amino acid or derivatives organic oxide aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound dicarboximide pyrrolidine carboxylic acid imide, n-substituted pyrrolidone tertiary amine organoheterocyclic compound alcohol azacycle n-alkylpyrrolidine tertiary aliphatic amine organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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