Compound Identification
SMILES
[Ca++].CCC(C)C(=O)C([O-])=O
InChIKey
InChIKey=AVBRPDHRXFTVAO-UHFFFAOYSA-M
Formula
C6H9CaO3
Mass
169.212
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
Short-chain keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Short-chain keto acids and derivatives
Alternative Parents
Alpha-keto acids and derivatives 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
Short-chain keto acid - Alpha-keto acid - Carboxylic acid salt - Ketone - Organic calcium salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms.
External Descriptors
Not available