Compound Identification
SMILES
CCC(CC)(C([O-])=O)C(=O)CC([O-])=O
InChIKey
InChIKey=NRMIGBUIKOHTMX-UHFFFAOYSA-L
Formula
C9H12O5
Mass
200.191
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
Branched fatty acids Beta-keto acids and derivatives Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Ketones Carboxylic acid salts Carboxylic acids Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic acyclic compounds
Substituents
Medium-chain keto acid - Beta-keto acid - Branched fatty acid - Fatty acyl - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Carboxylic acid salt - Ketone - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organic anion - 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