DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:47:59 UTC
Update Date	2025-03-25 01:34:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02450934
Frequency	0.5
Structure
Chemical Formula	C₂₄H₄₁NO₃₄S₄
Molecular Mass	1015.0393
SMILES	O=CC(O)C(O)C(OC1OC(COS(=O)(=O)O)C(O)C(OC2OC(COS(=O)(=O)O)C(OC3OC(C(=O)O)C(O)C(O)C3OS(=O)(=O)O)C(O)C2NOS(=O)(=O)O)C1O)C(O)CO
InChI Key	AQDXIRPBJRSHQL-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	acetals alkyl glycosides alkyl sulfates alpha-hydroxyaldehydes beta hydroxy acids and derivatives beta-hydroxy aldehydes carboxylic acids glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols sulfuric acid monoesters
Substituents	fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde sulfuric acid monoester carbonyl group carboxylic acid glucuronic acid or derivatives o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide alpha-hydroxyaldehyde acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives aldehyde hydroxy acid oxacycle monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester organooxygen compound alkyl glycoside

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