DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:03:43 UTC
Update Date	2025-03-21 18:28:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00071052
Frequency	42.3
Structure
Chemical Formula	C₁₁H₂₁N₂O₃+
Molecular Mass	229.1547
SMILES	CC(C(=O)N1CCC(C(=O)O)C1)[N+](C)(C)C
InChI Key	KOEATOBODXRNFD-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	alpha amino acids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	amines azacyclic compounds carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acylpyrrolidines organic cations organic oxides organic salts organopnictogen compounds pyrrolidine carboxylic acids tertiary carboxylic acid amides tetraalkylammonium salts
Substituents	carbonyl group carboxylic acid n-acylpyrrolidine organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt pyrrolidine organoheterocyclic compound tetraalkylammonium salt azacycle quaternary ammonium salt carboxamide group monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound amine organooxygen compound

Showing information for DMID00071052