DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 01:57:42 UTC
Update Date	2025-03-21 20:08:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00337554
Frequency	5.7
Structure
Chemical Formula	C₃₆H₆₁N₃O₄₀S₅
Molecular Mass	1335.1435
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(COS(=O)(=O)O)OC(OC4C(O)C(O)OC(COS(=O)(=O)O)C4O)C(NC(C)=O)C3O)C2O)C1NC(C)=O
InChI Key	SXNWRBHDHBPRPP-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 and derivatives hemiacetals hydrocarbon derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes secondary alcohols secondary carboxylic acid amides sulfuric acid monoesters
Substituents	sulfuric acid monoester carbonyl group monosaccharide carboxylic acid derivative n-acyl-alpha-hexosamine organic oxide acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal oxane organoheterocyclic compound acetamide alcohol organic sulfuric acid or derivatives carboxamide group oxacycle secondary carboxylic acid amide secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester

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