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
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
Anilides Nitrobenzenes Phenoxy compounds N-arylamides Nitroaromatic compounds Monoalkyl phosphates Fatty amides Tetraalkylammonium salts Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic oxoanionic compounds Hydrocarbon derivatives Organic salts Carbonyl compounds Organopnictogen compounds Amines
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