Compound Identification
SMILES
OC1CCC(CC1)OC(=O)CCCCC([O-])=O
InChIKey
InChIKey=NYULNSXAIVEQFP-UHFFFAOYSA-M
Formula
C12H19O5
Mass
243.28
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
Hydroxy fatty acids Fatty acid esters Cyclohexanols Dicarboxylic acids and derivatives Cyclic alcohols and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Medium-chain fatty acid - Hydroxy fatty acid - Fatty acid ester - Cyclohexanol - Dicarboxylic acid or derivatives - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Organic anion - Aliphatic 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