Structure Information
Structure

Compound Identification

SMILES

[H][C@@](COC(=O)CCCCCCC)(COP(O)(=O)O[C@]1([H])[C@]([H])(O)[C@]([H])(O)[C@@]([H])(OP(O)(O)=O)[C@]([H])(O)[C@@]1([H])O)OC(=O)CCCCCCC

InChIKey

InChIKey=SNIQYSSXZJPPEL-LKTRINTESA-N

Formula

C25H48O16P2

Mass

666.591

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Glycerophospholipids

Subclass

Glycerophosphoinositol phosphates

Intermediate Tree Nodes

Phosphatidylinositol phosphates - Phosphatidylinositol monophosphates

Direct Parent

1-phosphatidyl-1d-myo-inositol-4-phosphates

Alternative Parents

Molecular Framework

Aliphatic homomonocyclic compounds

Substituents

1-phosphatidyl-1d-myo-inositol-4-phosphate - Diacylglycerophosphoinositol - Glycerophosphoinositol - Inositol phosphate - Cyclohexanol - Fatty acid ester - Dialkyl phosphate - Monoalkyl phosphate - Cyclitol or derivatives - Dicarboxylic acid or derivatives - Organic phosphoric acid derivative - Phosphoric acid ester - Fatty acyl - Alkyl phosphate - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Polyol - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as 1-phosphatidyl-1d-myo-inositol-4-phosphates. These are lipids containing a myo-inositol-3-phosphate attached to the phosphate group of a glycerol-3-phosphate moiety, and two acyl chains linked to the glycerol at the O1- and O2- positions, through ester linkages.

External Descriptors

CHEBI:85900 : octanoate ester - 1-phosphatidyl-1D-myo-inositol 4-phosphate

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