Compound Identification
SMILES
COS([O-])(=O)=O.CCCCCCCC\C=C\CCCCCCCC(=O)NCC[N+](C)(CCO)CCNC(=O)CCCCCCC\C=C\CCCCCCCC
InChIKey
InChIKey=CRNOHKQARKZYBD-RRCQUFFISA-N
Formula
C44H87N3O7S
Mass
802.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
-
Subclass
Quaternary ammonium salts
- Level 5 Cholines
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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
Not available
Direct Parent
Cholines
Alternative Parents
Sulfuric acid monoesters N-acyl amines Alkyl sulfates Tetraalkylammonium salts Secondary carboxylic acid amides 1,2-aminoalcohols Primary alcohols Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Choline - Fatty amide - N-acyl-amine - Fatty acyl - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Tetraalkylammonium salt - Organic sulfuric acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Alkanolamine - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Amine - Organooxygen compound - Primary alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.
External Descriptors
Not available