Compound Identification
SMILES
[Ca++].OCC(=O)C(O)C(O)C(O)C([O-])=O.OCC(=O)C(O)C(O)C(O)C([O-])=O
InChIKey
InChIKey=HNXKHQGRMMZMKP-UHFFFAOYSA-L
Formula
C12H18CaO14
Mass
426.34
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 Beta hydroxy acids and derivatives Hydroxy fatty acids Acyloins Beta-hydroxy ketones Monosaccharides Alpha-hydroxy ketones Carboxylic acid salts 1,2-diols Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic calcium salts Organic zwitterions Primary alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Medium-chain hydroxy acid - Medium-chain fatty acid - Hydroxy fatty acid - Beta-hydroxy acid - Acyloin - Fatty acyl - Fatty acid - Beta-hydroxy ketone - Monosaccharide - Alpha-hydroxy ketone - 1,2-diol - Ketone - Secondary alcohol - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid - Organic calcium salt - Polyol - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - Alcohol - Organic oxide - 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