DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:23:25 UTC
Update Date	2025-03-25 01:49:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02533230
Frequency	0.5
Structure
Chemical Formula	C₃₃H₅₆N₂O₂₇S
Molecular Mass	944.2791
SMILES	CC(=O)NC1C(OC2C(O)C(OS(C)(=O)=O)OC(C(O)CO)C2O)OC(CO)C(OC2OC(COC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C(O)C(O)C2O)C1O
InChI Key	FXHNCWKDXFIFGH-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 c-glucuronides carbonyl compounds carboxylic acids hydrocarbon derivatives ketals methanesulfonates monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds organosulfonic acid esters oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides sulfonic acid esters sulfonyls
Substituents	organosulfonic acid or derivatives carbonyl group carboxylic acid monosaccharide organosulfur compound carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine sulfonic acid ester organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives carboxamide group organosulfonic acid ester methanesulfonate oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives sulfonyl organic sulfonic acid or derivatives pyran secondary alcohol hydrocarbon derivative organic nitrogen compound

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