Compound Identification
SMILES
[Na+].CN(CCCCCC([O-])=O)C1=CC=CC=C1
InChIKey
InChIKey=DUTCETUMYLIPOQ-UHFFFAOYSA-M
Formula
C13H18NNaO2
Mass
243.282
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
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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
Medium-chain fatty acids
Alternative Parents
Dialkylarylamines Aniline and substituted anilines Amino fatty acids Carboxylic acid salts Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Tertiary aliphatic/aromatic amine - Medium-chain fatty acid - Dialkylarylamine - Aniline or substituted anilines - Amino fatty acid - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Carboxylic acid salt - Tertiary amine - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic alkali metal salt - Organic zwitterion - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organic sodium salt - Aromatic homomonocyclic 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