Compound Identification
SMILES
[Na+].CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)C(CCC(O)C[C@@H](O)[C@@H](C)C([O-])=O)C12
InChIKey
InChIKey=VTNLFZXFKMYWIZ-VDMKXSNQSA-M
Formula
C26H41NaO6
Mass
472.598
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Hydroxy acids and derivatives
Subclass
Medium-chain hydroxy acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Medium-chain hydroxy acids and derivatives
Alternative Parents
Medium-chain fatty acids Hydroxy fatty acids Fatty acid esters Beta hydroxy acids and derivatives Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid salts Carboxylic acid esters Carboxylic acids Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Fatty acid ester - Hydroxy fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Carboxylic acid ester - Carboxylic acid salt - Secondary alcohol - Organic alkali metal salt - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organic salt - Organic zwitterion - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
External Descriptors
Not available