DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:55:15 UTC
Update Date	2025-03-25 00:51:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02190458
Frequency	0.5
Structure
Chemical Formula	C₉H₁₆NO₃+
Molecular Mass	186.1125
SMILES	CC(=O)C1CC(C(=O)O)[N+](C)(C)C1
InChI Key	QZYLRHYERRXHNR-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 amines azacyclic compounds beta-amino ketones carboxylic acids gamma-amino ketones hydrocarbon derivatives monocarboxylic acids and derivatives n-alkylpyrrolidines organic cations organic oxides organic salts organopnictogen compounds pyrrolidine carboxylic acids tetraalkylammonium salts
Substituents	carbonyl group carboxylic acid ketone organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound organic cation beta-aminoketone organic salt pyrrolidine organoheterocyclic compound proline or derivatives gamma-aminoketone tetraalkylammonium salt azacycle n-alkylpyrrolidine quaternary ammonium salt monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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