Compound Identification
SMILES
[Ca++].[Ca++].[Ca++].OC(=O)CC(O)(CC(O)=O)C(O)=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
InChIKey
InChIKey=SYSWJPSVYLUKCH-UHFFFAOYSA-H
Formula
C18H18Ca3O21
Mass
690.555
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Tricarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Tricarboxylic acids and derivatives
Alternative Parents
Alpha hydroxy acids and derivatives Tertiary alcohols Carboxylic acid salts Organic calcium salts Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Not available
Substituents
Tricarboxylic acid or derivatives - Alpha-hydroxy acid - Hydroxy acid - Tertiary alcohol - Carboxylic acid salt - Organic calcium salt - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Alcohol - Carbonyl group - Organic oxygen compound - Organic salt - Organic cation - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
External Descriptors
Not available