Compound Identification
SMILES
C[C@@H]1O[C@@H](OC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CC[C@](C)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C)[C@H](O)[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](OC(=O)C(\C)=C\C(O)C\C(C)=C\CC\C(C)=C\CC[C@](C)(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
InChIKey
InChIKey=BHQXDVVPOFDEHV-AAZAELRFSA-N
Formula
C82H134O38
Mass
1727.936
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
Diterpene glycosides Oligosaccharides Diterpenoids Long-chain fatty alcohols Alkyl glycosides O-glycosyl compounds Fatty acid esters Oxanes Enoate esters Secondary alcohols Acetals Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Sophorolipid - Diterpene glycoside - Oligosaccharide - Diterpenoid - Terpene glycoside - Long chain fatty alcohol - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - Fatty alcohol - Fatty acid ester - Oxane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Acetal - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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