DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:09:50 UTC
Update Date	2025-03-24 21:03:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01657605
Frequency	0.8
Structure
Chemical Formula	C₂₇H₄₅NO₃₇S₅
Molecular Mass	1135.0274
SMILES	COC1C(C(=O)O)OC(OC2C(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)OC2COS(=O)(=O)O)C(OS(=O)(=O)O)C1O
InChI Key	NZSXRYJZLQYYAW-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	1,3-dioxanes acetals acetamides alkyl sulfates carbonyl compounds carboxylic acid orthoesters carboxylic acids dialkyl ethers glucuronic acid derivatives hemiacetals hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds ortho esters oxacyclic compounds oxanes pyran carboxylic acids secondary alcohols secondary carboxylic acid amides sulfuric acid monoesters
Substituents	sulfuric acid monoester carbonyl group ether carboxylic acid glucuronic acid or derivatives ortho ester o-glucuronide monosaccharide carboxylic acid orthoester carboxylic acid derivative pyran carboxylic acid dialkyl ether n-acyl-alpha-hexosamine 1-o-glucuronide organic oxide acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal orthocarboxylic acid derivative oxane organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyran secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester meta-dioxane

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