Compound Identification
SMILES
[Ca++].CC(=O)CC(=O)C([O-])=O
InChIKey
InChIKey=HDJJFTCKUDQSEF-UHFFFAOYSA-M
Formula
C5H5CaO4
Mass
169.168
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
-
Subclass
Gamma-keto acids and derivatives
- Level 5 3-Acylpyruvic acids
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Subclass
Gamma-keto acids and derivatives
-
Class
Keto acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Gamma-keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
3-Acylpyruvic acids
Alternative Parents
Short-chain keto acids and derivatives Beta-diketones 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
3-acylpyruvic acid - Short-chain keto acid - 1,3-diketone - Alpha-keto acid - 1,3-dicarbonyl compound - Ketone - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic calcium salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Organic oxide - Organic cation - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as 3-acylpyruvic acids. These are compounds containing a pyruvic acid substituted at the 3-position by an acyl group.
External Descriptors
Not available