Compound Identification
SMILES
CCC(C)C(O)(C([O-])=O)C(O)(C(C)CC)C([O-])=O
InChIKey
InChIKey=KSQGGKUQIVOKPB-UHFFFAOYSA-L
Formula
C12H20O6
Mass
260.287
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Hydroxy acids and derivatives
Subclass
Medium-chain hydroxy acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Medium-chain hydroxy acids and derivatives
Alternative Parents
Medium-chain fatty acids Methyl-branched fatty acids Hydroxy fatty acids Monosaccharides Dicarboxylic acids and derivatives Tertiary alcohols Carboxylic acid salts 1,2-diols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aliphatic acyclic compounds
Substituents
Medium-chain hydroxy acid - Medium-chain fatty acid - Branched fatty acid - Methyl-branched fatty acid - Hydroxy fatty acid - Fatty acyl - Fatty acid - Dicarboxylic acid or derivatives - Monosaccharide - Tertiary alcohol - 1,2-diol - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organic anion - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
External Descriptors
Not available