Compound Identification
SMILES
[Na+].CCC(C)(C)C(=O)NC(C1CCCCC1)C1=CC(C)=CC(C)=C1OCC(O)C[C@@H](O)CC([O-])=O
InChIKey
InChIKey=AQFUFQRJIQZXNM-GWSRXMIWSA-M
Formula
C27H42NNaO6
Mass
499.624
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
m-Xylenes Phenoxy compounds Phenol ethers Medium-chain fatty acids Alkyl aryl ethers Beta hydroxy acids and derivatives Hydroxy fatty acids N-acyl amines Secondary carboxylic acid amides Secondary alcohols Carboxylic acid salts Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organonitrogen compounds Organic sodium salts Carbonyl compounds Organic oxides Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Medium-chain hydroxy acid - Phenol ether - Medium-chain fatty acid - Xylene - M-xylene - Phenoxy compound - Hydroxy fatty acid - Alkyl aryl ether - Beta-hydroxy acid - Fatty amide - Fatty acyl - Fatty acid - Benzenoid - Monocyclic benzene moiety - N-acyl-amine - Carboxamide group - Carboxylic acid salt - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic sodium salt - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic salt - Organic zwitterion - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic 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