DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:26:46 UTC
Update Date	2025-03-21 18:39:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00126491
Frequency	20.2
Structure
Chemical Formula	C₈H₁₆NO₃+
Molecular Mass	174.1125
SMILES	CCC(=O)C(C(=O)O)[N+](C)(C)C
InChI Key	IILKRHRQBUOLOK-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 acyclic compounds
Alternative Parents	1,3-dicarbonyl compounds alpha-amino ketones amines beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids fatty acyls hydrocarbon derivatives methyl-branched fatty acids monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds short-chain keto acids and derivatives tetraalkylammonium salts
Substituents	fatty acyl beta-hydroxy ketone aliphatic acyclic compound carbonyl group carboxylic acid short-chain keto acid beta-keto acid ketone organic oxide alpha-aminoketone alpha-amino acid organonitrogen compound organopnictogen compound organic cation organic salt methyl-branched fatty acid tetraalkylammonium salt quaternary ammonium salt branched fatty acid monocarboxylic acid or derivatives organic oxygen compound keto acid hydrocarbon derivative organic nitrogen compound 1,3-dicarbonyl compound amine organooxygen compound

Showing information for DMID00126491