Compound Identification
SMILES
CCCCCC(O)(C([N+](C)(C)C)P(O)(O)=O)C(=O)C(O)CO
InChIKey
InChIKey=QDAVFZJNXBGMNE-UHFFFAOYSA-O
Formula
C13H29NO7P
Mass
342.348
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
Monosaccharides Beta-hydroxy ketones Acyloins Tetraalkylammonium salts Tertiary alcohols Organic phosphonic acids Alpha-hydroxy ketones Secondary alcohols Polyols Primary alcohols Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aliphatic acyclic compounds
Substituents
Choline - Acyloin - Beta-hydroxy ketone - Monosaccharide - Alpha-hydroxy ketone - Tetraalkylammonium salt - Tertiary alcohol - Organophosphonic acid - Organophosphonic acid derivative - Ketone - Secondary alcohol - Polyol - Organic oxygen compound - Alcohol - Organooxygen compound - Organophosphorus compound - Primary alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic cation - 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