DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 03:24:32 UTC
Update Date	2025-03-21 22:17:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00543493
Frequency	3.1
Structure
Chemical Formula	C₂₆H₄₄N₂O₃₅S₅
Molecular Mass	1104.0328
SMILES	CC(=O)NC1C(O)CC(COS(=O)(=O)O)OC1OC1C(O)C(COS(=O)(=O)O)OC(OC2C(C(=O)O)OC(OC3C(COS(=O)(=O)O)OC(O)C(NS(=O)(=O)O)C3O)C(OS(=O)(=O)O)C2O)C1O
InChI Key	CIYJNWUWYNKUGJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acyl glycosides
Direct Parent	fatty acyl glycosides of mono- and disaccharides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals acetamides alkyl sulfates carbonyl compounds carboxylic acids glucuronic acid derivatives hemiacetals hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides sulfuric acid monoamides sulfuric acid monoesters
Substituents	fatty acyl glycoside of mono- or disaccharide sulfuric acid monoester carbonyl group carboxylic acid glucuronic acid or derivatives o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide saccharide organic oxide acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal oxane organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyran sulfuric acid monoamide secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester organooxygen compound

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