DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:52:20 UTC
Update Date	2025-03-24 21:22:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01759601
Frequency	0.7
Structure
Chemical Formula	C₃₆H₅₉N₃O₃₅S₃
Molecular Mass	1189.2091
SMILES	CC(=O)NC1C(O)CC(COS(=O)(=O)O)OC1OC1C(O)C(COS(=O)(=O)O)OC(OC2C(C(=O)O)OC(OC3C(O)C(COS(=O)(=O)O)OC(OC4C(CO)OC(O)C(NC(C)=O)C4O)C3O)C(NC(C)=O)C2O)C1O
InChI Key	TVNJNWHIGUQIRW-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	acetals acetamides alkyl sulfates carbonyl compounds carboxylic acids fatty acyl glycosides of mono- and disaccharides hemiacetals hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides n-acyl-alpha-hexosamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides sulfuric acid monoesters
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide sulfuric acid monoester carbonyl group carboxylic acid monosaccharide carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine organic oxide acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal oxane primary alcohol organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives fatty acyl glycoside carboxamide group acylaminosugar oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyran secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester

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