DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:10:37 UTC
Update Date	2025-03-24 21:03:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01659393
Frequency	0.8
Structure
Chemical Formula	C₄₀H₆₇N₃O₃₆S₂
Molecular Mass	1229.2946
SMILES	CC(=O)NC1C(OC2C(O)C(COS(=O)(=O)O)OC(OC3C(O)C(COS(=O)(=O)O)OC(O)C3NC(C)=O)C2O)OC(C(O)CO)C(OC2OC(COC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C(O)C(O)C2O)C1O
InChI Key	IMVWCOLZLUOATH-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 c-glucuronides carbonyl compounds carboxylic acids hemiacetals hydrocarbon derivatives ketals 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	sulfuric acid monoester carbonyl group carboxylic acid monosaccharide carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine organic oxide acetal ketal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives 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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