DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:49:50 UTC
Update Date	2025-03-24 21:21:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01753893
Frequency	0.7
Structure
Chemical Formula	C₃₉H₆₆N₂O₃₆S₂
Molecular Mass	1202.2837
SMILES	CC(=O)NC1CC(OC2OC(OC3C(O)C(CO)OC(OC4C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C4O)C3NC(C)=O)C(O)C(OC3OC(COS(=O)(=O)O)C(O)C(O)C3O)C2O)C(COS(=O)(=O)O)OC1O
InChI Key	PPJHERMOGPPKNN-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	acetals acetamides alkyl glycosides alkyl sulfates alpha-hydroxyaldehydes beta-hydroxy aldehydes carboxylic acids and derivatives fatty acyl glycosides of mono- and disaccharides hemiacetals hydrocarbon derivatives monosaccharides n-acyl-alpha-hexosamines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides sulfuric acid monoesters
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide beta-hydroxy aldehyde sulfuric acid monoester carbonyl group monosaccharide carboxylic acid derivative n-acyl-alpha-hexosamine organic oxide alpha-hydroxyaldehyde acetal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal oxane primary alcohol organoheterocyclic compound acetamide alcohol organic sulfuric acid or derivatives fatty acyl glycoside aldehyde carboxamide group acylaminosugar oxacycle secondary carboxylic acid amide secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester alkyl glycoside

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