DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:38:45 UTC
Update Date	2025-03-25 01:30:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02429091
Frequency	0.5
Structure
Chemical Formula	C₄₂H₆₉N₃O₃₁
Molecular Mass	1111.3915
SMILES	CC(=O)NC1C(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C3O)C2NC(C)=O)C1O
InChI Key	YHHULHOWCNTJCX-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-hydroxyaldehydes beta hydroxy acids and derivatives beta-hydroxy aldehydes carboxylic acids cyclitols and derivatives cyclopentanols dialkyl ethers fatty acyl glycosides of mono- and disaccharides gamma amino acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary 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 monosaccharide carboxylic acid derivative dialkyl ether n-acyl-alpha-hexosamine beta-hydroxy acid organic oxide alpha-hydroxyaldehyde acetal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide alcohol fatty acyl glycoside aldehyde cyclitol or derivatives hydroxy acid cyclic alcohol carboxamide group cyclopentanol oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives secondary alcohol hydrocarbon derivative organic nitrogen compound alkyl glycoside

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