Compound Identification
SMILES
CCCCCCCCCCCCCCCCCCOCC(COCCOCC[N+]1(CCCCCC(O)=O)CCCC1)OC1=NC=CC=N1
InChIKey
InChIKey=AKLBMELLFAFCPP-UHFFFAOYSA-O
Formula
C39H72N3O6
Mass
679.019
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
Alkyl aryl ethers Amino fatty acids Heterocyclic fatty acids Glycerol ethers Pyrimidines and pyrimidine derivatives N-alkylpyrrolidines Tetraalkylammonium salts Heteroaromatic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Dialkyl ethers Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Amines Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Medium-chain fatty acid - Alkyl aryl ether - Amino fatty acid - Heterocyclic fatty acid - Glycerol ether - Pyrimidine - N-alkylpyrrolidine - Tetraalkylammonium salt - Pyrrolidine - Heteroaromatic compound - Quaternary ammonium salt - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic salt - Organic cation - Aromatic heteromonocyclic 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