DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:55:30 UTC
Update Date	2025-03-24 21:24:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01767054
Frequency	0.7
Structure
Chemical Formula	C₅₁H₈₆N₂O₃₉
Molecular Mass	1350.4808
SMILES	CC(=O)NC1C(OCC2OC(OC(C(O)CO)C(O)C(=O)O)C(O)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3NC(C)=O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O
InChI Key	VWDTYYCJAFBHOB-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 alpha hydroxy acids and derivatives carbonyl compounds carboxylic acids fatty acyl glycosides of mono- and disaccharides heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid alpha-hydroxy acid monosaccharide fatty acid carboxylic acid derivative n-acyl-alpha-hexosamine organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hydroxy fatty acid oxane primary alcohol organoheterocyclic compound acetamide alcohol fatty acyl glycoside hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives secondary alcohol hydrocarbon derivative organic nitrogen compound

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