Compound Identification
SMILES
[Ba++].CCC(O)CCCCCCCC(CCCCCCC([O-])=O)OCC1=CC=CC=C1.CCC(O)CCCCCCCC(CCCCCCC([O-])=O)OCC1=CC=CC=C1
InChIKey
InChIKey=WSLYEAJEHLJVGD-UHFFFAOYSA-L
Formula
C50H82BaO8
Mass
948.525
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Long-chain fatty acids
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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
Long-chain fatty acids
Alternative Parents
Benzylethers Hydroxy fatty acids Secondary alcohols Carboxylic acid salts Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Long-chain fatty acid - Benzylether - Hydroxy fatty acid - Monocyclic benzene moiety - Benzenoid - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organic salt - Organic zwitterion - Carbonyl group - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
External Descriptors
Not available