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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Alcohols and polyols
-
Level 5
Cyclic alcohols and derivatives
-
Level 6
Cyclitols and derivatives
- Level 7 Inositol phosphates
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Level 6
Cyclitols and derivatives
-
Level 5
Cyclic alcohols and derivatives
-
Subclass
Alcohols and polyols
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
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
Organic pyrophosphates Organic phosphoric acids and derivatives Oxacyclic compounds Organic calcium salts Organic oxides Hydrocarbon derivatives
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