Compound Identification
SMILES
CC12CC(OC1=O)C1(C)CCC3(C)C(CCC4C5(CO)CCC(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C(O)=O)C(C)(C)C5CCC34C)C1=C2
InChIKey
InChIKey=PBIHXRFDHSKBHE-MXEHMZDBSA-N
Formula
C42H62O16
Mass
822.942
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
-
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
-
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
Triterpene saponins Triterpenoids Fatty acyl glycosides of mono- and disaccharides O-glucuronides Alkyl glycosides Tricarboxylic acids and derivatives Fatty alcohols Fatty acid esters Beta hydroxy acids and derivatives Pyrans Oxanes Monosaccharides Gamma butyrolactones Tetrahydrofurans Secondary alcohols Carboxylic acid esters Polyols Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Sophorolipid - Triterpene saponin - Triterpene glycoside - Triterpenoid - Fatty acyl glycoside of mono- or disaccharide - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Alkyl glycoside - Tricarboxylic acid or derivatives - Fatty alcohol - Fatty acid ester - Beta-hydroxy acid - Pyran - Oxane - Monosaccharide - Hydroxy acid - Gamma butyrolactone - Tetrahydrofuran - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic 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