DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:38:02 UTC
Update Date	2025-03-21 17:57:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00010917
Frequency	427.3
Structure
Chemical Formula	C₁₅H₂₃N₂O₃+
Molecular Mass	279.1703
SMILES	CC(C(=O)NC(Cc1ccccc1)C(=O)O)[N+](C)(C)C
InChI Key	KUHCIPWTOHZIGC-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	aromatic homomonocyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids amines amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic cations organic oxides organic salts organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides tetraalkylammonium salts
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide tetraalkylammonium salt n-acyl-alpha-amino acid quaternary ammonium salt carboxamide group aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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