Compound Identification
SMILES
[Ca++].OCC(O)(CO)[C@@H](O)[C@H](O)[C@H](O)C([O-])=O.OCC(O)(CO)[C@@H](O)[C@H](O)[C@H](O)C([O-])=O
InChIKey
InChIKey=CODDTHODRLRBRO-GDQVUBHPSA-L
Formula
C14H26CaO16
Mass
490.424
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 Branched fatty acids Hydroxy fatty acids Monosaccharides Tertiary alcohols Secondary alcohols Carboxylic acid salts Polyols Carboxylic acids Organic calcium salts Monocarboxylic acids and derivatives Primary alcohols Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic zwitterions
Molecular Framework
Not available
Substituents
Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Branched fatty acid - Hydroxy fatty acid - Fatty acyl - Fatty acid - Monosaccharide - Tertiary alcohol - Carboxylic acid salt - Secondary alcohol - Organic calcium salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Polyol - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Alcohol - Organic zwitterion - Organooxygen compound - Carbonyl group - Primary alcohol - 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