Compound Identification
SMILES
I.C[N+](C)(C)CCO.CCCCCCC([O-])=O
InChIKey
InChIKey=DINDHEABNUITHD-UHFFFAOYSA-M
Formula
C12H28INO3
Mass
361.264
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
Cholines Straight chain fatty acids Tetraalkylammonium salts Carboxylic acid salts 1,2-aminoalcohols Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Not available
Substituents
Medium-chain fatty acid - Choline - Straight chain fatty acid - Tetraalkylammonium salt - Quaternary ammonium salt - 1,2-aminoalcohol - Carboxylic acid salt - Alkanolamine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Amine - Organic oxygen compound - Organic cation - 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