DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:07:35 UTC
Update Date	2025-03-21 18:29:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00080444
Frequency	36.1
Structure
Chemical Formula	C₉H₁₉N₂O₃+
Molecular Mass	203.139
SMILES	CC(=O)NC(CC(=O)O)C[N+](C)(C)C
InChI Key	UWNPJVFSZBPJQO-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	beta amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acetamides amines carbonyl compounds carboxylic acids fatty acids and conjugates hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides tetraalkylammonium salts
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid tetraalkylammonium salt quaternary ammonium salt fatty acid carboxamide group beta amino acid or derivatives secondary carboxylic acid amide organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound organopnictogen compound hydrocarbon derivative organic nitrogen compound organic cation organic salt amine acetamide organooxygen compound

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