DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:11 UTC
Update Date	2025-03-25 00:54:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02208538
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₉N₂O₂+
Molecular Mass	305.2224
SMILES	CC(C(Cc1ccccc1)N1CCCC1C(=O)O)[N+](C)(C)C
InChI Key	AIXYGDQRFHQCMV-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	proline and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-alkylpyrrolidines organic cations organic oxides organic salts organopnictogen compounds pyrrolidine carboxylic acids tetraalkylammonium salts trialkylamines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid organic oxide pyrrolidine carboxylic acid alpha-amino acid organonitrogen compound organopnictogen compound organic cation organic salt pyrrolidine tertiary amine organoheterocyclic compound amphetamine or derivatives proline or derivatives tetraalkylammonium salt azacycle n-alkylpyrrolidine quaternary ammonium salt tertiary aliphatic amine 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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