Structure Information
Structure

Compound Identification

SMILES

[OH-].CCCCCCCCCCCCCCCC(=O)NC1=C(OP(O)(=O)OCC[N+](C)(C)C)C=CC(=C1)[N+]([O-])=O

InChIKey

InChIKey=CDTKXKMMWVIQDN-UHFFFAOYSA-N

Formula

C27H50N3O8P

Mass

575.684

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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

Aromatic homomonocyclic compounds

Substituents

Phosphocholine - Nitrobenzene - Anilide - Nitroaromatic compound - Phenoxy compound - N-arylamide - Monoalkyl phosphate - Monocyclic benzene moiety - Fatty amide - Organic phosphoric acid derivative - Phosphoric acid ester - Fatty acyl - Alkyl phosphate - Benzenoid - Tetraalkylammonium salt - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organooxygen compound - Organic oxide - Organic hydroxide - Amine - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Carbonyl group - Aromatic homomonocyclic 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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