Compound Identification
SMILES
[Na+].COC(=O)C(=O)CC(C)=O
InChIKey
InChIKey=PUHWXBMLBAWIRO-UHFFFAOYSA-N
Formula
C6H8NaO4
Mass
167.115
Taxonomic Classification
Taxonomy Tree
-
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
Fatty acid esters Beta-diketones Alpha-keto acids and derivatives Methyl esters Ketones Organic alkali metal salts Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aliphatic acyclic compounds
Substituents
3-acylpyruvic acid - Fatty acid ester - 1,3-diketone - Alpha-keto acid - 1,3-dicarbonyl compound - Fatty acyl - Methyl ester - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic alkali metal salt - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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