DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:55:55 UTC
Update Date	2025-03-25 00:52:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02191921
Frequency	0.5
Structure
Chemical Formula	C₂₃H₃₇N₃O₁₈
Molecular Mass	643.2072
SMILES	CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC(=O)CNC(=O)CC(N)C(=O)O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	DCQXVEKCDZRFKK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid glycopeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides acyl glycines alpha amino acids alpha-amino acyl ester of carbohydrates asparagine and derivatives c-glucuronides carbonyl compounds carboxylic acid esters carboxylic acids hydrocarbon derivatives ketals monoalkylamines monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid fatty amide monosaccharide tricarboxylic acid or derivatives alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid saccharide organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives oxane primary alcohol organoheterocyclic compound acetamide n-acyl-alpha amino acid or derivatives c-glucuronide alcohol pyran carboxylic acid or derivatives alpha-amino acid ester n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-acylglycine oxacycle secondary carboxylic acid amide organic oxygen compound pyran carboxylic acid ester hybrid glycopeptide alpha-amino acyl ester of carbohydrate secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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