DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:40 UTC
Update Date	2025-03-25 00:52:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02193607
Frequency	0.5
Structure
Chemical Formula	C₉H₁₉N₂O₂+
Molecular Mass	187.1441
SMILES	CN(C)C1CC(C(=O)O)[N+](C)(C)C1
InChI Key	CDYPGZWRXJTRES-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	proline and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-alkylpyrrolidines organic cations organic oxides organic salts organopnictogen compounds pyrrolidine carboxylic acids tetraalkylammonium salts trialkylamines
Substituents	carbonyl group carboxylic acid amino acid organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound organic cation organic salt pyrrolidine tertiary amine organoheterocyclic compound proline or derivatives tetraalkylammonium salt azacycle n-alkylpyrrolidine quaternary ammonium salt tertiary aliphatic amine monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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