DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:09:05 UTC
Update Date	2025-03-21 18:31:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00083984
Frequency	34.2
Structure
Chemical Formula	C₂₀H₃₀N₃O₄+
Molecular Mass	376.2231
SMILES	CC(C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)O)[N+](C)(C)C
InChI Key	CYCFPKFNPNYCRA-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	oligopeptides
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-acylpyrrolidines organic cations organic oxides organic salts organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides tetraalkylammonium salts
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid n-acylpyrrolidine alpha-amino acid or derivatives organic oxide 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 alpha-amino acid amide tetraalkylammonium salt azacycle n-acyl-alpha-amino acid quaternary ammonium salt carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid alpha-oligopeptide organic nitrogen compound pyrrolidine-2-carboxamide amine organooxygen compound

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