DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:17:17 UTC
Update Date	2025-03-21 18:35:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00103685
Frequency	26.2
Structure
Chemical Formula	C₈H₁₉N₂O₂+
Molecular Mass	175.1441
SMILES	CC(C(=O)NCCO)[N+](C)(C)C
InChI Key	LIFVIDDMWBUECN-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 acid amides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alanine and derivatives alcohols and polyols alkanolamines alpha amino acids carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives n-acylethanolamines organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides tetraalkylammonium salts
Substituents	aliphatic acyclic compound carbonyl group organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt alkanolamine alcohol alpha-amino acid amide tetraalkylammonium salt quaternary ammonium salt carboxamide group n-acylethanolamine secondary carboxylic acid amide organic oxygen compound alanine or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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