DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:53:14 UTC
Update Date	2025-03-25 00:29:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02045969
Frequency	0.6
Structure
Chemical Formula	C₃₈H₆₁N₃O₃₀
Molecular Mass	1039.334
SMILES	CC(=O)NC1C(O)CC(OCC2OC(OC3C(O)C(CO)OC(OC(C(=O)NCC(=O)O)C(O)C(O)C=O)C3O)C(NC(C)=O)C(OC3OC(CO)C(O)C(O)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	NEGQLCCVAVPEFC-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	acyl glycines
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alkyl glycosides alpha amino acids alpha-hydroxyaldehydes beta-hydroxy aldehydes c-glucuronides carboxylic acids dicarboxylic acids and derivatives fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives ketals monosaccharides n-acyl amines n-acyl-alpha-hexosamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde carbonyl group carboxylic acid fatty amide monosaccharide pyran carboxylic acid n-acyl-alpha-hexosamine saccharide organic oxide alpha-hydroxyaldehyde acetal ketal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives fatty acyl glycoside aldehyde carboxamide group n-acyl-amine n-acylglycine oxacycle secondary carboxylic acid amide organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound alkyl glycoside

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