DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:24:02 UTC
Update Date	2025-03-25 00:16:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01262165
Frequency	1.1
Structure
Chemical Formula	C₄₂H₇₁N₃O₃₁
Molecular Mass	1113.4072
SMILES	CC(=O)NC1C(O)CC(OCC2OC(OC3C(O)C(CO)OC(NC(C)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)(C(=O)O)OC1C(O)C(O)CO
InChI Key	AYSSDQPCHQIGCG-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	acetamides alpha-hydroxyaldehydes amino acids beta-hydroxy aldehydes c-glucuronides carboxylic acids dialkyl ethers dialkylamines hemiacetals hemiaminals hydrocarbon derivatives ketals monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	beta-hydroxy aldehyde carbonyl group ether carboxylic acid amino acid or derivatives amino acid monosaccharide carboxylic acid derivative pyran carboxylic acid dialkyl ether hemiaminal n-acyl-alpha-hexosamine organic oxide alpha-hydroxyaldehyde acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol secondary aliphatic amine pyran carboxylic acid or derivatives aldehyde secondary amine carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyran secondary alcohol hydrocarbon derivative organic nitrogen compound amine

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