DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:10 UTC
Update Date	2025-03-25 00:57:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224802
Frequency	0.5
Structure
Chemical Formula	C₂₁H₃₂N₄O₆
Molecular Mass	436.2322
SMILES	NCCCCC(NC(=O)CCC(N)C(=O)O)C(=O)NC(CC(=O)O)Cc1ccccc1
InChI Key	CIKLVGJRYGFQBX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives dipeptides glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives fatty amide alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine beta amino acid or derivatives n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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