Compound Identification
SMILES
[Br-].OC(C(O)C([O-])=O)C([O-])=O.CCCCCCCCCCCCCCCC[N+](C)(CCCN1C(C)CCC1C)CCCN1C(C)CCC1C
InChIKey
InChIKey=APOTYSJJCCXARQ-UHFFFAOYSA-K
Formula
C39H76BrN3O6
Mass
762.957
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Hydroxy acids and derivatives
- Subclass Beta hydroxy acids and derivatives
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Class
Hydroxy acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Hydroxy acids and derivatives
Subclass
Beta hydroxy acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Beta hydroxy acids and derivatives
Alternative Parents
Short-chain hydroxy acids and derivatives Dicarboxylic acids and derivatives N-alkylpyrrolidines Monosaccharides Fatty acids and conjugates Tetraalkylammonium salts Trialkylamines Secondary alcohols 1,2-diols Carboxylic acid salts Azacyclic compounds Carboxylic acids Organic oxides Carbonyl compounds Organic bromide salts Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Beta-hydroxy acid - Short-chain hydroxy acid - Dicarboxylic acid or derivatives - Monosaccharide - Fatty acid - N-alkylpyrrolidine - Tetraalkylammonium salt - Pyrrolidine - Quaternary ammonium salt - 1,2-diol - Carboxylic acid salt - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organic salt - Organic bromide salt - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Amine - Organic nitrogen compound - Organic cation - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
External Descriptors
Not available