DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:51:21 UTC
Update Date	2025-03-21 18:03:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00041763
Frequency	82.1
Structure
Chemical Formula	C₁₀H₂₁N₂O₃+
Molecular Mass	217.1547
SMILES	CC(=O)NC(CCC[N+](C)(C)C)C(=O)O
InChI Key	GDJNTFNDMSEMRP-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acetamides alpha amino acids 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 fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt acetamide tetraalkylammonium salt n-acyl-alpha-amino acid quaternary ammonium salt carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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