DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:53:15 UTC
Update Date	2025-03-21 18:03:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00046353
Frequency	72.3
Structure
Chemical Formula	C₉H₁₉N₂O₄+
Molecular Mass	219.1339
SMILES	CC(C(=O)NC(CO)C(=O)O)[N+](C)(C)C
InChI Key	STKCYOBZXYTZCH-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	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids amines beta hydroxy acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic cations organic oxides organic salts organopnictogen compounds primary alcohols secondary carboxylic acid amides serine and derivatives tetraalkylammonium salts
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid alpha-amino acid or derivatives beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt primary alcohol n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide tetraalkylammonium salt n-acyl-alpha-amino acid quaternary ammonium salt hydroxy acid carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative organic nitrogen compound serine or derivatives amine organooxygen compound

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