Compound Identification
SMILES
O=C1NS(=O)(=O)C2=CC=CC=C12.CCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C
InChIKey
InChIKey=YFADRVVGEZKOSU-DDWIOCJRSA-N
Formula
C17H24N2O7S
Mass
400.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acid esters
- Level 5 Acyl carnitines
-
Subclass
Fatty acid esters
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Acyl carnitines
Alternative Parents
Benzothiazoles Dicarboxylic acids and derivatives Benzenoids Tetraalkylammonium salts Organosulfonic acids and derivatives Carboxylic acid salts Carboxylic acid esters Carboxylic acids Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
Molecular Framework
Not available
Substituents
Acyl-carnitine - 1,2-benzothiazole - Dicarboxylic acid or derivatives - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxylic acid ester - Carboxylic acid salt - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as acyl carnitines. These are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond.
External Descriptors
Not available