DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:55 UTC
Update Date	2025-03-25 00:56:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02217311
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₆N₃O₃+
Molecular Mass	308.1969
SMILES	C[N+](C)(C)CC(Cc1ccccc1)NC(=O)C(N)CC(=O)O
InChI Key	ZQQOADUQMVDFGV-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	aspartic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amines amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides tetraalkylammonium salts
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt amphetamine or derivatives alpha-amino acid amide tetraalkylammonium salt quaternary ammonium salt carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound aspartic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound amine organooxygen compound

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