Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCCCC(=O)NC(CSC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)NCCCCCCO[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O

InChIKey

InChIKey=PPNGYNJNAFZJHR-ZLYXTFMPSA-N

Formula

C84H156N2O27S

Mass

1658.22

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Fatty Acyls

Subclass

Fatty acyl glycosides

Intermediate Tree Nodes

Not available

Direct Parent

Sophorolipids

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Sophorolipid - Oligosaccharide - N-acyl-alpha amino acid or derivatives - Alkyl glycoside - Alpha-amino acid amide - Cysteine or derivatives - O-glycosyl compound - Glycosyl compound - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Fatty acid ester - Oxane - Dicarboxylic acid or derivatives - N-acyl-amine - Fatty amide - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Polyol - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Primary alcohol - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as sophorolipids. These are glycolipids containing a sophorose moiety linked glycosidically to the hydroxyl group of a 17-hydroxy-C18 saturated fatty acid. The carboxyl group of the fatty acid can be linked to the 4'-hydroxyl of the second glucose to form a lactone.

External Descriptors

Not available

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