Compound Identification
SMILES
CCCCCCCCCCCCCCCCCC(=O)NC(C(C)OCC)C(C[N+](C)(C)C)(OP(O)([O-])=O)C(O)=O
InChIKey
InChIKey=HJTQCXAPCNVVQT-UHFFFAOYSA-N
Formula
C29H59N2O8P
Mass
594.771
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
-
Subclass
Quaternary ammonium salts
-
Level 5
Cholines
- Level 6 Phosphocholines
-
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
Beta amino acids and derivatives Phosphoethanolamines Alkyl phosphates Fatty acids and conjugates N-acyl amines Tetraalkylammonium salts Secondary carboxylic acid amides Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Amines Organic salts Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aliphatic acyclic compounds
Substituents
Beta amino acid or derivatives - Phosphocholine - Phosphoethanolamine - Fatty amide - N-acyl-amine - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Fatty acid - Fatty acyl - Tetraalkylammonium salt - Secondary carboxylic acid amide - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Amine - Organic oxygen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - 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