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-WBNPGBJVSA-L
Formula
C14H26CaO16
Mass
490.424
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
- Level 5 Sugar acids and derivatives
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Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Sugar acids and derivatives
Alternative Parents
Medium-chain hydroxy acids and derivatives 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
Gluconic_acid - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Branched fatty acid - Hydroxy fatty acid - Fatty acyl - Fatty acid - Hydroxy acid - Monosaccharide - Tertiary alcohol - Carboxylic acid salt - Secondary alcohol - Organic calcium salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Polyol - Alcohol - Hydrocarbon derivative - Organic salt - Organic zwitterion - Primary alcohol - Organic oxide - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
External Descriptors
Not available