Compound: choline
SMILES: OCC[N+](C)(C)C
InChIKey: OEYIOHPDSNJKLS-UHFFFAOYSA-N
Synonyms: choline, Choline ion, Bilineurine, 62-49-7, Choline cation, 2-Hydroxy-N,N,N-trimethylethanaminium, Cholinum, (2-Hydroxyethyl)trimethylammonium, Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, vitamin J, trimethylethanolamine, 2-hydroxyethyl(trimethyl)azanium, N-trimethylethanolamine, (2-hydroxyethyl)trimethylazanium, N91BDP6H0X, N,N,N-trimethylethanol-ammonium, CHEBI:15354, DTXSID8043789, Gabazolamine, Gaboxetine, Sentroxatine, Sentrazolam AM, Citrate, Choline, Choline O Sulfate, Gabazolamine-0.5, O-Sulfate, Choline, Sentraflox AM-10, Sentralopram AM-10, RefChem:5679, ALPRAZOLAM, CHOLINE, DTXCID6023789, 2-hydroxyethyl-trimethyl-ammonium, CITALOPRAM HYDROBROMIDE, CHOLINE, FLUOXETINE HYDROCHLORIDE, CHOLINE, 200-535-1, CCRIS 5847, AI3-24208, BRN 1736748, (beta-hydroxyethyl)trimethylammonium, Choline (chloride), CHEMBL920, 2-hydroxy-N,N,N-trimethyl-ethanaminium, Bilineurine; Choline cation; Choline ion; Nanoveson C; Vitamin J, CHT, NSC402838, NCGC00015219-03, EINECS 200-535-1, UNII-N91BDP6H0X, 2-hydroxyethyl(trimethyl)ammonium, 1oba, 2reg, 3ppq, Choline (DCF), Choline (8CI), NANOVESON C, Spectrum_000258, 2ha3, 3r6u, Ethanaminium,2-hydroxy-N,N,N-trimethyl-, CHOLINE [VANDF], CHOLINE [MI], Spectrum2_001938, Spectrum4_000867, Spectrum5_001579, Lopac-C-1754, CHOLINE [WHO-DD], bmse000285, bmse000953, bmse001003, Epitope ID:116046, SCHEMBL3142, Lopac0_000180, KBioGR_001533, KBioSS_000738, 3-04-00-00651 (Beilstein Handbook Reference), DivK1c_000107, N,N,N-trimethylethanolammonium, SPBio_001975, GTPL4551, SCHEMBL1316669, KBio1_000107, KBio2_000738, KBio2_003306, KBio2_005874, NSC6393, NINDS_000107, (2-Hydroxyethyl)trimethyl ammonium, mono-2-hydroxyethyltrimethylammonium, NSC-6393, BBL005532, BDBM50026220, STL137772, AKOS005721137, 2-HYDROXYETHYL)TRIMETHYLAMMONIUM, CCG-204275, DB00122, IDI1_000107, NCGC00015219-01, NCGC00015219-02, NCGC00015219-04, NCGC00015219-07, NCGC00015219-10, NCGC00162082-01, 2-Hydroxy-N,N,N-trimethylethan-1-aminium, CARBACHOL IMPURITY A [EP IMPURITY], SBI-0050168.P003, 2-Hydroxy-N,N,N-trimethylammonium chloride, DB-186977, NS00006125, (.BETA.-HYDROXYETHYL)TRIMETHYLAMMONIUM, C00114, D07690, AB00053822_02, Ethanaminium, 2-hydroxy-N,N,N-trimethyl- (9CI), Q193166, ACETYLCHOLINE CHLORIDE IMPURITY A [EP IMPURITY], BRD-K77300776-001-01-7, BRD-K77300776-001-02-5, InChI=1/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+
Theoretical properties:
molecular_formula: C5H14NO+
molecular_weight: 104.17 g/mol
exact_mass: 104.107539070 g/mol
formal_charge: 1
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 2
heavy_atom_count: 7
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 244-247 °C (as chloride salt)
solubility: Soluble
Descriptions:
pubchem: 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.
chebi: A choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function.
chembl: CHOLINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 0.5.
wikipedia: Choline is a cation with the chemical formula [(CH3)3NCH2CH2OH]+. Choline forms various salts, such as choline chloride and choline bitartrate. An essential nutrient for animals, it is a structural component of phospholipids and cell membranes.
Choline is used to synthesize acetylcholine, a neurotransmitter involved in muscle control and numerous functions of the nervous system. Choline is involved in early development of the brain, gene expression, cell membrane signaling, and brain metabolism.
Although humans synthesize choline in the liver, the amount produced naturally is insufficient to meet cellular functions, requiring that some choline be obtained from foods or dietary supplements. Foods rich in choline include meats, poultry, eggs, and other animal-based products, cruciferous vegetables, beans, nuts, and whole grains. Choline is present in breast milk and is commonly added as an ingredient to baby foods.