DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:23:52 UTC
Update Date	2025-03-25 01:02:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02255884
Frequency	0.5
Structure
Chemical Formula	C₂₈H₄₈N₂O₃₅S₅
Molecular Mass	1132.0641
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)OOC(COS(=O)(=O)O)C3O)C(NC(C)=O)C2O)C1O
InChI Key	OYHKPFXPVTXRSI-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	1,2-dioxanes acetals acetamides alkyl sulfates carbonyl compounds carboxylic acids and derivatives dialkyl peroxides hydrocarbon derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes secondary alcohols secondary carboxylic acid amides sulfuric acid monoesters
Substituents	sulfuric acid monoester carbonyl group monosaccharide carboxylic acid derivative n-acyl-alpha-hexosamine organic oxide acetal alkyl sulfate dialkyl peroxide aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane organoheterocyclic compound acetamide alcohol organic sulfuric acid or derivatives carboxamide group oxacycle secondary carboxylic acid amide secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester ortho-dioxane

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