DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:19 UTC
Update Date	2025-03-25 00:51:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188358
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₇N₂O₂+
Molecular Mass	279.2067
SMILES	CC(O)C(Cc1ccccc1)NC(=O)C(C)[N+](C)(C)C
InChI Key	VBJFGPPIFVEMMS-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	aromatic homomonocyclic compounds
Alternative Parents	alanine and derivatives alpha amino acids amines amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives organic cations organic oxides organic salts organopnictogen compounds secondary alcohols secondary carboxylic acid amides tetraalkylammonium salts
Substituents	monocyclic benzene moiety carbonyl group organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt amphetamine or derivatives alcohol alpha-amino acid amide tetraalkylammonium salt quaternary ammonium salt carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound secondary alcohol alanine or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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