DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:57:11 UTC
Update Date	2025-03-25 00:52:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02194745
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₃N₂O₂+
Molecular Mass	251.1754
SMILES	CCNC(=O)C(Cc1ccc(O)cc1)[N+](C)(C)C
InChI Key	LQQLNICOOOIIEZ-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	tyrosine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amines amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives fatty amides hydrocarbon derivatives organic cations organic oxides organic salts organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides tetraalkylammonium salts
Substituents	fatty acyl monocyclic benzene moiety carbonyl group fatty amide 1-hydroxy-2-unsubstituted benzenoid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt amphetamine or derivatives tyrosine or derivatives alpha-amino acid amide tetraalkylammonium salt quaternary ammonium salt carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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