DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 12:33:38 UTC
Update Date	2025-03-24 21:41:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01857352
Frequency	0.7
Structure
Chemical Formula	C₃₉H₆₅N₃O₂₈
Molecular Mass	1023.3755
SMILES	CC(=O)NC1C(OCC2OC(OC3C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C3O)C(NC(C)=O)C(OC3OC(CO)C(O)C(OC(C)C(=O)O)C3N=C(C)O)C2O)OC(CO)C(O)C1O
InChI Key	XBXWXJUUSTUMPW-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 aldehydes carboximidic acids carboxylic acids dialkyl ethers fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols propargyl-type 1,3-dipolar organic compounds secondary alcohols secondary carboxylic acid amides sugar acids and derivatives
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide carboximidic acid beta-hydroxy aldehyde carbonyl group ether carboxylic acid monosaccharide carboxylic acid derivative dialkyl ether n-acyl-alpha-hexosamine propargyl-type 1,3-dipolar organic compound muramic_acid organic oxide alpha-hydroxyaldehyde acetal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide alcohol fatty acyl glycoside aldehyde organic 1,3-dipolar compound carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives secondary alcohol hydrocarbon derivative organic nitrogen compound alkyl glycoside

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