DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:03:03 UTC
Update Date	2025-03-21 18:07:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00069478
Frequency	43.4
Structure
Chemical Formula	C₁₅H₂₁N₂O₅+
Molecular Mass	309.1445
SMILES	C[N+](C)(C)C(C(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	ZVPGZRKHMHXDLX-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	1,3-dicarbonyl compounds alpha amino acid amides alpha amino acids amines amphetamines and derivatives benzene and substituted derivatives carboxylic acids dicarboxylic acids and derivatives hydrocarbon 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 alpha-amino acid organonitrogen compound 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 phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound 1,3-dicarbonyl compound amine organooxygen compound

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