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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
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Subclass
Fatty acyl glycosides
- Level 5 Sophorolipids
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Subclass
Fatty acyl glycosides
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Class
Fatty Acyls
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Superclass
Lipids and lipid-like molecules
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
Oligosaccharides N-acyl-alpha amino acids and derivatives Alkyl glycosides Alpha amino acid amides Cysteine and derivatives O-glycosyl compounds Fatty acid esters Dicarboxylic acids and derivatives N-acyl amines Oxanes Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Oxacyclic compounds Polyols Sulfenyl compounds Acetals Dialkylthioethers Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds
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