Compound Identification
SMILES
CC(=O)C(CCC(O)=O)(C(C)=O)C(O)=O
InChIKey
InChIKey=AYZWJKRVOOHRAN-UHFFFAOYSA-N
Formula
C9H12O6
Mass
216.189
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 Beta-hydroxy ketones Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Medium-chain keto acid - Branched fatty acid - Beta-keto acid - Fatty acyl - Dicarboxylic acid or derivatives - Beta-hydroxy ketone - Ketone - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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