DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:25 UTC
Update Date	2025-03-25 00:48:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02167990
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₂N₂O₅
Molecular Mass	334.1529
SMILES	CC(CO)N1C(=O)CCC1C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	IWPRLYRRBKCWRE-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 hydrocarbon derivatives lactams monocarboxylic acids and derivatives n-acyl-alpha amino acids n-alkylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids primary alcohols 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 primary alcohol pyrrolidone organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid n-alkylpyrrolidine carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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