DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:28:06 UTC
Update Date	2025-03-25 01:52:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02544387
Frequency	0.5
Structure
Chemical Formula	C₄₁H₆₉N₃O₃₀
Molecular Mass	1083.3966
SMILES	CC(=O)NC1C(OCC2OC(OC(C(O)CO)C(O)C(O)C=O)OC(COC3C(NC(C)=O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3NC(C)=O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChI Key	KBCQLYFXUSUWQJ-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	1,3-dioxanes acetals acetamides alkyl glycosides alpha-hydroxyaldehydes beta-hydroxy aldehydes carboxylic acid orthoesters carboxylic acids and derivatives cyclitols and derivatives cyclopentanols dialkyl ethers fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds ortho esters 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 ortho ester monosaccharide carboxylic acid orthoester carboxylic acid derivative dialkyl ether n-acyl-alpha-hexosamine organic oxide alpha-hydroxyaldehyde acetal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound orthocarboxylic acid derivative oxane primary alcohol organoheterocyclic compound acetamide alcohol fatty acyl glycoside aldehyde cyclitol or derivatives cyclic alcohol carboxamide group cyclopentanol oxacycle secondary carboxylic acid amide secondary alcohol hydrocarbon derivative organic nitrogen compound meta-dioxane alkyl glycoside

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