Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP([O-])(=O)OCC[N+](C)(C)C

InChIKey

InChIKey=AAERQLSYRRXFMA-FYBNUODKSA-N

Formula

C22H47N2O5P

Mass

450.601

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic nitrogen compounds

Class

Organonitrogen compounds

Subclass

Quaternary ammonium salts

Intermediate Tree Nodes

Cholines

Direct Parent

Phosphocholines

Alternative Parents

Phosphoethanolamines Dialkyl phosphates Tetraalkylammonium salts Secondary alcohols Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives

Molecular Framework

Aliphatic acyclic compounds

Substituents

Phosphocholine - Phosphoethanolamine - Dialkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Tetraalkylammonium salt - Secondary alcohol - Alcohol - Organic zwitterion - Primary amine - Organic salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound

Description

This compound belongs to the class of organic compounds known as phosphocholines. These are compounds containing a [2-(trimethylazaniumyl)ethoxy]phosphonic acid or derivative.

External Descriptors

LIPIDMAPS (LMSP01060003) : Lysosphingomyelins and lysoglycosphingolipids

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