DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:53:05 UTC
Update Date	2025-03-24 20:04:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01330725
Frequency	1.0
Structure
Chemical Formula	C₂₆H₄₄N₂O₃₅S₅
Molecular Mass	1104.0328
SMILES	CC(=O)NC1C(O)CC(COS(=O)(=O)O)OC1OC1C(O)C(COS(=O)(=O)O)OC(OC2C(COS(=O)(=O)O)OC(OC3C(COS(=O)(=O)O)OC(O)C(NS(=O)(=O)O)C3O)OC2C(=O)O)C1O
InChI Key	VZHKTUAVMAHINN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acyl glycosides
Direct Parent	fatty acyl glycosides of mono- and disaccharides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,3-dioxanes acetals acetamides alkyl sulfates carbonyl compounds carboxylic acid orthoesters carboxylic acids hemiacetals hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds ortho esters oxacyclic compounds oxanes secondary alcohols secondary carboxylic acid amides sulfuric acid monoamides sulfuric acid monoesters
Substituents	fatty acyl glycoside of mono- or disaccharide sulfuric acid monoester carbonyl group carboxylic acid ortho ester monosaccharide carboxylic acid orthoester carboxylic acid derivative saccharide organic oxide acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal orthocarboxylic acid derivative oxane organoheterocyclic compound acetamide alcohol organic sulfuric acid or derivatives carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound sulfuric acid monoamide secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester meta-dioxane organooxygen compound

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