DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:11:56 UTC
Update Date	2025-03-25 01:20:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02366373
Frequency	0.5
Structure
Chemical Formula	C₃₃H₅₄N₂O₂₇
Molecular Mass	910.2914
SMILES	CC(=O)NC1C(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(COC2(C(=O)O)CC(O)C(N)C(C(=O)O)O2)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChI Key	RQMOFLHMTCWOCW-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 beta amino acids and derivatives beta-hydroxy aldehydes carboxylic acids delta amino acids and derivatives dicarboxylic acids and derivatives fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives ketals monoalkylamines monosaccharides organic oxides organonitrogen compounds 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 monosaccharide carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine organic oxide alpha-hydroxyaldehyde acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound delta amino acid or derivatives oxane primary alcohol organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives fatty acyl glycoside aldehyde carboxamide group beta amino acid or derivatives oxacycle secondary carboxylic acid amide pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound alkyl glycoside

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