DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:30 UTC
Update Date	2025-03-25 00:57:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225529
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₀N₄O₅
Molecular Mass	406.2216
SMILES	CC(C)C(NC(=O)C(NC(=O)C(N)CC(=O)c1ccccc1N)C(C)C)C(=O)O
InChI Key	DMWYSINVRZCGND-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkyl-phenylketones alpha amino acid amides alpha amino acids amino acids aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides secondary carboxylic acid amides valine and derivatives vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid fatty amide benzoyl alpha-amino acid or derivatives carboxylic acid derivative alpha peptide ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives vinylogous amide polypeptide alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives carboxamide group n-acyl-amine phenylketone n-substituted-alpha-amino acid butyrophenone aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

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