DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:31:49 UTC
Update Date	2025-03-24 22:06:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01994851
Frequency	0.6
Structure
Chemical Formula	C₃₈H₆₄N₂O₃₃S
Molecular Mass	1108.3112
SMILES	CC(=O)NC1C(OC2C(O)C(COS(=O)(=O)O)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(CO)C(O)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C2O)C1O
InChI Key	MUHPUUBSBLHDDX-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	acetamides alkyl glycosides alkyl sulfates alpha-hydroxyaldehydes beta-hydroxy aldehydes c-glucuronides carboxylic acids hydrocarbon derivatives ketals monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes oxepanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides sulfuric acid monoesters
Substituents	fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde sulfuric acid monoester carbonyl group carboxylic acid monosaccharide carboxylic acid derivative pyran carboxylic acid saccharide organic oxide alpha-hydroxyaldehyde acetal ketal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives aldehyde carboxamide group oxepane oxacycle secondary carboxylic acid amide 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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