Compound Identification
SMILES
CC(O)(CC(=O)C=C)C([O-])=O
InChIKey
InChIKey=MIOHHMUDAYGRQX-UHFFFAOYSA-M
Formula
C7H9O4
Mass
157.146
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
Gamma-keto acids and derivatives b'-hydroxy-alpha,beta-unsaturated ketones Methyl-branched fatty acids Hydroxy fatty acids Unsaturated fatty acids Beta-hydroxy ketones Tertiary alcohols Enones Acryloyl compounds Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic acyclic compounds
Substituents
Medium-chain keto acid - Gamma-keto acid - Branched fatty acid - B'-hydroxy-alpha,beta-unsaturated-ketone - Methyl-branched fatty acid - Hydroxy fatty acid - Beta-hydroxy ketone - Fatty acyl - Unsaturated fatty acid - Acryloyl-group - Alpha,beta-unsaturated ketone - Tertiary alcohol - Enone - Carboxylic acid salt - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - 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