DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 02:29:43 UTC
Update Date	2025-03-21 20:57:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00413464
Frequency	4.4
Structure
Chemical Formula	C₃₁H₅₄N₂O₃₅S₄
Molecular Mass	1142.139
SMILES	CC(=O)NC1C(O)CC(OC2C(O)C(COS(=O)(=O)O)OC(OC3C(COS(=O)(=O)O)OC(OC4C(O)C(O)OC(COS(=O)(=O)O)C4O)C(NC(C)=O)C3O)C2O)(C(=O)O)OC1CO[SH](=O)(O)C(O)CO
InChI Key	PCXIDSPROLPJSK-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	acetamides alkyl sulfates alkylthiols carbonyl compounds carboxylic acids hemiacetals hydrocarbon derivatives ketals monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds organosulfur compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides sulfuric acid monoesters
Substituents	sulfuric acid monoester carbonyl group carboxylic acid monosaccharide organosulfur compound carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine organic oxide acetal ketal alkyl sulfate aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound hemiacetal oxane primary alcohol organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives organic sulfuric acid or derivatives carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives pyran secondary alcohol sulfate-ester hydrocarbon derivative organic nitrogen compound sulfuric acid ester alkylthiol

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