DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:44:43 UTC
Update Date	2025-03-21 18:00:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00025990
Frequency	147.8
Structure
Chemical Formula	C₁₇H₂₅N₂O₃+
Molecular Mass	305.186
SMILES	C[N+](C)(C)C(Cc1ccccc1)C(=O)N1CCCC1C(=O)O
InChI Key	BEHVKEWBTUXHOQ-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 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-acylpyrrolidines organic cations organic oxides organic salts organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids tertiary carboxylic acid amides tetraalkylammonium salts
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound n-acylpyrrolidine alpha-amino acid or derivatives organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide 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 tetraalkylammonium salt azacycle n-acyl-alpha-amino acid quaternary ammonium salt carboxamide group alpha-dipeptide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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