Compound Identification
SMILES
NCC(O)=O.N[C@@H](CS)C(O)=O.CSCC[C@H](N)C(O)=O.CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O
InChIKey
InChIKey=IDQMDQWHGOWMKX-KBBWGOFYSA-N
Formula
C52H85N3O22S2
Mass
1168.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Cysteine and derivatives Alkyl glycosides L-alpha-amino acids Tricarboxylic acids and derivatives Cyclohexenones Beta hydroxy acids and derivatives Pyrans Oxanes Monosaccharides Enones Acryloyl compounds Secondary alcohols Amino acids Oxacyclic compounds Carboxylic acids Alkylthiols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Sophorolipid - Triterpene saponin - Triterpene glycoside - Triterpenoid - Fatty acyl glycoside of mono- or disaccharide - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Cysteine or derivatives - Alkyl glycoside - L-alpha-amino acid - Alpha-amino acid or derivatives - Alpha-amino acid - Tricarboxylic acid or derivatives - Cyclohexenone - Beta-hydroxy acid - Pyran - Oxane - Monosaccharide - Hydroxy acid - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Amino acid - Secondary alcohol - Ketone - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Alkylthiol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - 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