DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:23:16 UTC
Update Date	2025-03-25 01:02:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02254504
Frequency	0.5
Structure
Chemical Formula	C₂₁H₃₂N₂O₈
Molecular Mass	440.2159
SMILES	CC(C)CC(NC(=O)C(N)Cc1ccccc1)C(=O)OC1OC(CO)C(O)C(O)C1O
InChI Key	QVAUSWJBZPUEPE-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	peptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetals alpha amino acid amides alpha amino acids alpha-amino acyl ester of carbohydrates amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acid esters fatty acid esters fatty acyl glycosides of mono- and disaccharides fatty amides hydrocarbon derivatives leucine and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides 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 fatty acyl glycoside of mono- or disaccharide monocyclic benzene moiety carbonyl group aromatic heteromonocyclic compound fatty amide monosaccharide alpha-amino acid or derivatives alpha peptide saccharide organic oxide acetal leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound oxane primary alcohol organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol fatty acyl glycoside alpha-amino acid amide alpha-amino acid ester n-acyl-alpha-amino acid carboxamide group oxacycle secondary carboxylic acid amide fatty acid ester monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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