DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:42 UTC
Update Date	2025-03-25 00:46:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152762
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₀N₆O₆
Molecular Mass	450.2227
SMILES	N=C(N)NCCCC(NC(=O)CCC(NC(=O)C(N)Cc1ccccc1)C(=O)O)C(=O)O
InChI Key	FQLURNYYYIYHJW-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 homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives arginine and derivatives benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives guanidines hydrocarbon derivatives imines monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives guanidine imine fatty amide alpha-amino acid or derivatives organic oxide arginine or derivatives 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 carboximidamide carboxamide group n-acyl-amine aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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