Molecular Identity
choline
2-hydroxyethyl(trimethyl)azanium
PubChem CID: 305
Choline is a choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function. It has a role as a neurotransmitter, a nutrient, an allergen, a mouse metabolite, a Saccharomyces cerevisiae metabolite, a plant metabolite, an Escherichia coli metabolite, a human metabolite and a Daphnia magna metabolite.
2D Structure
Properties
C5H14NO+
Molecular Formula
104.17
Molecular Weight
g/mol
104.1075
Exact Mass
Da
-0.4
XLogP
Drug-like (Lipinski: < 5)
20.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
1
H-Bond Acceptors
46
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
cholineCholine ionBilineurine62-49-7Choline cation2-Hydroxy-N,N,N-trimethylethanaminiumCholinumEthanaminium, 2-hydroxy-N,N,N-trimethyl-(2-Hydroxyethyl)trimethylammoniumtrimethylethanolaminevitamin JN-trimethylethanolamine2-hydroxyethyl(trimethyl)azanium(2-hydroxyethyl)trimethylazaniumN,N,N-trimethylethanol-ammonium
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to choline
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