Compound Identification
SMILES
[Ca++].[O-]C(=O)CCC(=O)C=C
InChIKey
InChIKey=HFLWCMUOUGIJQB-UHFFFAOYSA-M
Formula
C6H7CaO3
Mass
167.196
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 Unsaturated fatty acids Enones Acryloyl compounds Ketones Carboxylic acid salts Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aliphatic acyclic compounds
Substituents
Medium-chain keto acid - Gamma-keto acid - Fatty acyl - Unsaturated fatty acid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Carboxylic acid salt - Ketone - Carboxylic acid derivative - Organic calcium salt - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic salt - Organic oxygen compound - Organooxygen compound - Organic cation - 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