Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OCC[N+](C)(C)C)SC(=O)CCCC=CCC=CCC=CCC=CCCCCC

InChIKey

InChIKey=YDSCLGYBUIDZNF-VZUYHUTRSA-O

Formula

C44H83NO6PS

Mass

785.18

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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

Molecular Framework

Aliphatic acyclic compounds

Substituents

Phosphocholine - Dialkyl phosphate - Fatty acyl thioester - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Tetraalkylammonium salt - Carbothioic s-ester - Thiocarboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Amine - Organic cation - 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

Not available

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