DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:55:57 UTC
Update Date	2025-03-25 00:52:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02191994
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₄N₂O₂₁S
Molecular Mass	694.1375
SMILES	CC(=O)NC1C(O)CC(OC2C(O)C(COS(=O)(=O)O)OC(O)C2NC(C)=O)(C(=O)O)OC1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	ZEJWDYXWVAPEHN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	acylaminosugars
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alkyl sulfates beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives hemiacetals hydrocarbon derivatives ketals monosaccharides n-acyl-alpha-hexosamines o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides sulfuric acid monoesters
Substituents	sulfuric acid monoester carbonyl group carboxylic acid glucuronic acid or derivatives o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine 1-o-glucuronide beta-hydroxy acid organic oxide acetal ketal 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 hydroxy acid carboxamide group acylaminosugar oxacycle secondary carboxylic acid amide pyran secondary alcohol dicarboxylic acid or derivatives sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester

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