Structure Information
Structure

Compound Identification

SMILES

[Ca++].[Ca++].[Ca++].[O-]P1(=O)OC2C(OP([O-])(=O)O1)C1OP([O-])(=O)OP([O-])(=O)OC1C1OP([O-])(=O)OP([O-])(=O)OC21

InChIKey

InChIKey=OBHJWIFVKDIIEF-UHFFFAOYSA-H

Formula

C6H6Ca3O21P6

Mass

720.17

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Alcohols and polyols

Intermediate Tree Nodes

Cyclic alcohols and derivatives - Cyclitols and derivatives

Direct Parent

Inositol phosphates

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Inositol phosphate - Organic pyrophosphate - Organic phosphoric acid derivative - Organic calcium salt - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organic salt - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as inositol phosphates. These are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.

External Descriptors

Not available

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