Compound Identification
SMILES
CCCCCCCCCCCCCCCCSC[C@H](COP(O)(=O)OCC[N+](C)(C)C)NC(=O)CC
InChIKey
InChIKey=BHPDEQMMZWXADL-SANMLTNESA-O
Formula
C27H58N2O5PS
Mass
553.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
-
Subclass
Quaternary ammonium salts
-
Level 5
Cholines
- Level 6 Phosphocholines
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Level 5
Cholines
-
Subclass
Quaternary ammonium salts
-
Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
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 carboxylic acid amides Sulfenyl compounds Dialkylthioethers Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
Molecular Framework
Aliphatic acyclic compounds
Substituents
Phosphocholine - Phosphoethanolamine - Dialkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Tetraalkylammonium salt - Carboxamide group - Secondary carboxylic acid amide - Thioether - Dialkylthioether - Carboxylic acid derivative - Sulfenyl compound - Amine - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - 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