DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:02 UTC
Update Date	2025-03-25 00:58:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02228871
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₂N₄O₉
Molecular Mass	496.2169
SMILES	CC(=O)NC1C(NC(=O)C(Cc2ccccc2)NC(=O)CCC(N)C(=O)O)OC(CO)C(O)C1O
InChI Key	QQVZQMRAPBASIM-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	acetamides alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids fatty acyl glycosides glutamine and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenylalanine and derivatives primary alcohols secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives aromatic heteromonocyclic compound fatty amide monosaccharide alpha-amino acid or derivatives saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide n-acyl-alpha-amino acid fatty n-acyl glycoside carboxamide group n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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