Compound Identification
SMILES
[Ca++].CC(C)(CCCCOCCCCC(C)(C)C([O-])=O)C([O-])=O
InChIKey
InChIKey=ZJKZKKPIKDNHDM-UHFFFAOYSA-L
Formula
C16H28CaO5
Mass
340.473
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Medium-chain 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
Medium-chain fatty acids
Alternative Parents
Dicarboxylic acids and derivatives Carboxylic acid salts Organic calcium salts Dialkyl ethers Carboxylic acids Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Medium-chain fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid salt - Carboxylic acid derivative - Organic calcium salt - Carboxylic acid - Dialkyl ether - Ether - Carbonyl group - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
External Descriptors
Not available