DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:06 UTC
Update Date	2025-03-21 18:33:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00095858
Frequency	28.9
Structure
Chemical Formula	C₁₆H₂₃N₂O₃+
Molecular Mass	291.1703
SMILES	C[N+]1(C)CCCC1C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	HGTXAXFTVLJLET-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 heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amines amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids n-alkylpyrrolidines organic cations organic oxides organic salts organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tetraalkylammonium salts
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt pyrrolidine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide tetraalkylammonium salt azacycle n-acyl-alpha-amino acid n-alkylpyrrolidine quaternary ammonium salt carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide amine organooxygen compound

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