DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 06:48:33 UTC
Update Date	2025-03-24 17:58:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01030725
Frequency	1.4
Structure
Chemical Formula	C₄₈H₈₀N₄O₃₆
Molecular Mass	1288.4552
SMILES	CC(=O)NC1C(O)CC(OCC2OC(OC3C(O)C(CO)OC(NC(C(O)CO)C(O)C(O)C=O)C3O)C(NC(C)=O)C(OC3OC(CO)C(O)C(OC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	OOUNPFRDDPGOPP-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 alkyl glycosides alpha-hydroxyaldehydes amino acids beta-hydroxy aldehydes c-glucuronides carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty acyl glycosides of mono- and disaccharides hemiaminals hydrocarbon derivatives ketals monosaccharides organic oxides 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 amino acid or derivatives amino acid monosaccharide carboxylic acid derivative pyran carboxylic acid hemiaminal n-acyl-alpha-hexosamine organic oxide alpha-hydroxyaldehyde acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol secondary aliphatic amine pyran carboxylic acid or derivatives fatty acyl glycoside aldehyde secondary amine carboxamide group oxacycle secondary carboxylic acid amide pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound amine alkyl glycoside

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