choline

Ligand id: 4551

Name: choline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 20.23
Molecular weight 104.11
XLogP -0.84
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(2-hydroxyethyl)trimethylazanium
International Nonproprietary Names
INN number INN
442 choline chloride
8868 choline fenofibrate
1322 choline gluconate
1938 choline salicylate
757 choline theophyllinate
Database Links
CAS Registry No. 62-49-7 (source: Scifinder)
ChEBI CHEBI:15354
ChEMBL Ligand CHEMBL920
DrugBank Ligand DB00122
Human Metabolome Database HMDB00097
PubChem CID 305
RCSB PDB Ligand CHT
Search Google for chemical match using the InChIKey OEYIOHPDSNJKLS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OEYIOHPDSNJKLS
Search PubMed clinical trials choline theophyllinate
Search PubMed titles choline theophyllinate
Search PubMed titles/abstracts choline theophyllinate
Wikipedia Choline
Comments
Choline is a component of several INN-assigned drugs