DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:26:37 UTC
Update Date	2025-03-21 18:39:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00126131
Frequency	20.3
Structure
Chemical Formula	C₂₀H₂₇N₃O₅
Molecular Mass	389.1951
SMILES	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C1CCC(=O)N1)C(=O)O
InChI Key	IOECGEFOMVXGSD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
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 fatty amides hydrocarbon derivatives lactams leucine and derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides phenylalanine and derivatives proline and derivatives pyrrolidine-2-ones pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	fatty acyl 2-pyrrolidone monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine pyrrolidone organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group n-substituted-alpha-amino acid 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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