DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 03:51:55 UTC
Update Date	2025-03-21 22:59:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00608813
Frequency	2.7
Structure
Chemical Formula	C₄₁H₆₈N₂O₃₂
Molecular Mass	1100.3755
SMILES	CC(=O)NC1C(O)CC(OCC2OC(OC3C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C3O)C(NC(C)=O)C(OC3C(O)C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C3O)C2O)OC1C(O)C(=O)O
InChI Key	ACJZHFTYYUDYGJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	n-acyl-alpha-hexosamines
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals acetamides alkyl glycosides alpha hydroxy acids and derivatives alpha-hydroxyaldehydes beta-hydroxy aldehydes carboxylic acids dialkyl ethers fatty acyl glycosides of mono- and disaccharides gamma amino acids and derivatives hemiacetals hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde carbonyl group ether carboxylic acid gamma amino acid or derivatives alpha-hydroxy acid monosaccharide carboxylic acid derivative dialkyl ether n-acyl-alpha-hexosamine organic oxide alpha-hydroxyaldehyde acetal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal oxane primary alcohol organoheterocyclic compound acetamide alcohol fatty acyl glycoside aldehyde hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives secondary alcohol hydrocarbon derivative organic nitrogen compound alkyl glycoside

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