Compound Identification
SMILES
OCC(=O)CCC([O-])=O
InChIKey
InChIKey=HVCNSAJVIFXBHU-UHFFFAOYSA-M
Formula
C5H7O4
Mass
131.108
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- 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
Gamma-keto acids and derivatives
Alternative Parents
Short-chain keto acids and derivatives Monosaccharides Alpha-hydroxy ketones Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic acyclic compounds
Substituents
Gamma-keto acid - Short-chain keto acid - Monosaccharide - Alpha-hydroxy ketone - Carboxylic acid salt - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organic anion - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.
External Descriptors
META CYC (CPD-13943) : a small molecule