DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:55 UTC
Update Date	2025-03-25 01:00:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02242223
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₀NO₃+
Molecular Mass	202.1438
SMILES	CC(CCC(=O)CC(=O)O)[N+](C)(C)C
InChI Key	KFPKFPZNLZRTIV-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	keto acids and derivatives
Subclass	medium-chain keto acids and derivatives
Direct Parent	medium-chain keto acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amines amino fatty acids beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids fatty acyls gamma-amino ketones hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	fatty acyl beta-hydroxy ketone aliphatic acyclic compound carbonyl group carboxylic acid carboxylic acid derivative beta-keto acid ketone organic oxide organonitrogen compound organopnictogen compound organic cation organic salt gamma-aminoketone tetraalkylammonium salt quaternary ammonium salt amino fatty acid monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound amine organooxygen compound medium-chain keto acid

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