Compound Identification
SMILES
CCCCCCCC(O)C(C(C)=O)C(O)=O
InChIKey
InChIKey=BTHNIUPGXCFAHD-UHFFFAOYSA-N
Formula
C12H22O4
Mass
230.304
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Medium-chain keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Medium-chain keto acids and derivatives
Alternative Parents
Hydroxy fatty acids Branched fatty acids Beta-keto acids and derivatives Beta hydroxy acids and derivatives Beta-hydroxy ketones 1,3-dicarbonyl compounds Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Medium-chain keto acid - Beta-hydroxy acid - Beta-keto acid - Branched fatty acid - Hydroxy fatty acid - Hydroxy acid - Beta-hydroxy ketone - 1,3-dicarbonyl compound - Fatty acyl - Secondary alcohol - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.
External Descriptors
Not available