Compound Identification
SMILES
OC(CC(=O)C([O-])=O)C(O)C([O-])=O
InChIKey
InChIKey=QUURPCHWPQNNGL-UHFFFAOYSA-L
Formula
C6H6O7
Mass
190.108
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
Beta hydroxy acids and derivatives Monosaccharides Dicarboxylic acids and derivatives Beta-hydroxy ketones Alpha-keto acids and derivatives Secondary alcohols 1,2-diols Carboxylic acids Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic acyclic compounds
Substituents
Medium-chain keto acid - Beta-hydroxy acid - Alpha-keto acid - Beta-hydroxy ketone - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Ketone - 1,2-diol - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Carbonyl group - Alcohol - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic anion - 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
META CYC (5-KETO-4-DEOXY-D-GLUCARATE) : a small molecule