DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:22:33 UTC
Update Date	2025-03-21 18:37:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00116522
Frequency	22.5
Structure
Chemical Formula	C₁₂H₂₁N₂O₃+
Molecular Mass	241.1547
SMILES	CC(=O)C1CCC(=O)N1C(=O)C(C)[N+](C)(C)C
InChI Key	ZDJDZZBYQWXVLV-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	alpha amino acids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	amines azacyclic compounds carboxylic acids and derivatives dicarboximides hydrocarbon derivatives ketones n-acylpyrrolidines n-substituted carboxylic acid imides organic cations organic oxides organic salts organopnictogen compounds pyrrolidine-2-ones tetraalkylammonium salts
Substituents	2-pyrrolidone carbonyl group n-acylpyrrolidine ketone organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide organic cation organic salt pyrrolidine carboxylic acid imide, n-substituted pyrrolidone organoheterocyclic compound tetraalkylammonium salt azacycle quaternary ammonium salt carboxylic acid imide organic oxygen compound hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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