Compound Identification
SMILES
OCCN(CCO)CCO.OCCN(CCO)CCO.CCCCCCCCCCCCCCCCCCOC(=O)CC(C(O)=O)S(O)(=O)=O
InChIKey
InChIKey=CJXJGBWMFWJCPJ-UHFFFAOYSA-N
Formula
C34H72N2O13S
Mass
749.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Thia fatty acids
-
Subclass
Fatty acids and conjugates
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acids and conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Thia fatty acids
Alternative Parents
Fatty acid esters Dicarboxylic acids and derivatives Sulfonyls Organosulfonic acids Alkanesulfonic acids Trialkylamines Carboxylic acid esters 1,2-aminoalcohols Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Fatty acid ester - Thia fatty acid - Dicarboxylic acid or derivatives - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - 1,2-aminoalcohol - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Alkanolamine - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Amine - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as thia fatty acids. These are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain.
External Descriptors
Not available