Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C

InChIKey

InChIKey=PEOKUHCGTNNBEN-JLPJUISDSA-N

Formula

C49H101N2O7P

Mass

861.328

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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 - Phosphoethanolamine - Dialkyl phosphate - Fatty amide - N-acyl-amine - Fatty acyl - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Tetraalkylammonium salt - 1,2-diol - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Amine - Alcohol - Organic zwitterion - 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

CHEBI:70952 : N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

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