DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:34 UTC
Update Date	2025-03-25 00:45:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02150114
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₅N₃O₆
Molecular Mass	391.1743
SMILES	NC(CCCN1C(=O)CCC1C(=O)NC(Cc1ccccc1)C(=O)O)C(=O)O
InChI Key	DREZIUNRIPBNON-UHFFFAOYSA-N
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 amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives lactams monoalkylamines n-acyl-alpha amino acids n-alkylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids proline and derivatives pyrrolidine-2-ones pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	2-pyrrolidone monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid alpha-amino acid or derivatives organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine pyrrolidone organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid n-alkylpyrrolidine carboxamide group alpha-dipeptide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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