Compound Identification
SMILES
C[C@@H](O)CCCCC[C@@H](CCCCCCCCCCCCC[C@H](CC(=O)OC[C@H]1O[C@@H](O[C@@H]2CCCCCCCCCCCCC[C@H](CCCCC[C@@H](C)O)O[C@@H]3O[C@H](COC(=O)C[C@@H](CCCCCCCCCCCCC[C@H](CCCCC[C@@H](C)O)O[C@@H]4O[C@H](COC(=O)C2)[C@@H](O)[C@H](O)[C@H]4O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=MMVOMUNFMIVYAF-UWJCNBFGSA-N
Formula
C108H198O42
Mass
2168.73
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 Rhamnolipids
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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
Rhamnolipids
Alternative Parents
Mono-rhamnolipids Saccharolipids Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides O-glycosyl compounds Tricarboxylic acids and derivatives Fatty alcohols Sugar acids and derivatives Fatty acid esters Oxanes Monosaccharides Lactones Carboxylic acid esters Secondary alcohols Oxacyclic compounds Acetals Polyols Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Mono-rhamnolipid - Rhamnolipid - Saccharolipid - Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - Fatty alcohol - Tricarboxylic acid or derivatives - Fatty acid ester - Sugar acid - Oxane - Monosaccharide - Secondary alcohol - Lactone - Carboxylic acid ester - Polyol - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Acetal - Primary alcohol - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxygen compound - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as rhamnolipids. These are glycolipids structurally characterized by a glycosyl head group, in this case a rhamnose moiety, and a 3-(hydroxyalkanoyloxy)alkanoic acid (HAA) fatty acid tail.
External Descriptors
Not available