DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:44:17 UTC
Update Date	2025-03-24 22:12:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02024837
Frequency	0.6
Structure
Chemical Formula	C₃₇H₆₁N₃O₃₉S₄
Molecular Mass	1299.1765
SMILES	CC(=O)NC1C(O)CC(COS(=O)(=O)O)OC1OC1C(O)C(COS(=O)(=O)O)OC(OC2C(O)C(COS(=O)(=O)O)OC(OC3C(C(=O)O)OC(OC4C(O)C(O)OC(COS(=O)(=O)O)C4O)C(NC(C)=O)C3O)C2O)C(NC(C)=O)C1O
InChI Key	HZWBVBSHGKUPHG-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	acetals acetamides alkyl sulfates carbonyl compounds carboxylic acids fatty acyl glycosides of mono- and disaccharides hemiacetals hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes oxepanes 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 organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives fatty acyl glycoside carboxamide group oxepane 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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