Natural Product (NP) Details

General Information of the NP (ID: NP4162)
Name
Choline
Synonyms
choline; Choline ion; Bilineurine; Choline cation; 62-49-7; Cholinum; 2-Hydroxy-N,N,N-trimethylethanaminium; (2-Hydroxyethyl)trimethylammonium; trimethylethanolamine; N-trimethylethanolamine; Ethanaminium, 2-hydroxy-N,N,N-trimethyl-; CCRIS 5847; 2-hydroxyethyl(trimethyl)azanium; AI3-24208; UNII-N91BDP6H0X; BRN 1736748; N,N,N-trimethylethanol-ammonium; CHEBI:15354; (beta-hydroxyethyl)trimethylammonium; CHEMBL920; N91BDP6H0X; (2-hydroxyethyl)trimethylazanium; 2-hydroxy-N,N,N-trimethyl-ethanaminium; Bilineurine; Choline cation; Choline ion; Nanoveson C; Vitamin J; vitamin J; CHT; NSC402838; NCGC00015219-03; EINECS 200-535-1; 2-hydroxyethyl(trimethyl)ammonium; 1oba; 2reg; 3ppq; Choline (DCF); Choline (8CI); Spectrum_000258; 2ha3; 3r6u; Spectrum2_001938; Spectrum4_000867; Spectrum5_001579; Lopac-C-1754; 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; C[N+](C)(C)CCO; GTPL4551; DTXSID8043789; KBio1_000107; KBio2_000738; KBio2_003306; KBio2_005874; NSC6393; NINDS_000107; (2-Hydroxyethyl)trimethyl ammonium; mono-2-hydroxyethyltrimethylammonium; NSC-6393; ZINC3079337; BBL005532; BDBM50026220; STL137772; AKOS005721137; CCG-204275; DB00122; MCULE-7712564949; IDI1_000107; NCGC00015219-01; NCGC00015219-02; NCGC00015219-04; NCGC00015219-07; NCGC00015219-10; NCGC00162082-01; SBI-0050168.P003; 2-Hydroxy-N,N,N-trimethylammonium chloride; C00114; D07690; 11069-EP2269610A2; 11069-EP2269992A1; 11069-EP2270002A1; 11069-EP2270010A1; 11069-EP2272516A2; 11069-EP2272517A1; 11069-EP2272847A1; 11069-EP2272848A1; 11069-EP2275105A1; 11069-EP2277848A1; 11069-EP2277867A2; 11069-EP2280003A2; 11069-EP2281815A1; 11069-EP2284160A1; 11069-EP2284170A1; 11069-EP2284172A1; 11069-EP2289510A1; 11069-EP2289883A1; 11069-EP2289891A2; 11069-EP2289893A1; 11069-EP2295055A2; 11069-EP2295407A1; 11069-EP2295409A1; 11069-EP2295418A1; 11069-EP2295433A2; 11069-EP2298312A1; 11069-EP2298736A1; 11069-EP2298742A1; 11069-EP2298743A1; 11069-EP2298744A2; 11069-EP2298755A1; 11069-EP2298758A1; 11069-EP2298759A1; 11069-EP2298768A1; 11069-EP2298770A1; 11069-EP2301933A1; 11069-EP2301937A1; 11069-EP2305250A1; 11069-EP2305640A2; 11069-EP2305642A2; 11069-EP2305664A1; 11069-EP2305671A1; 11069-EP2305675A1; 11069-EP2305677A1; 11069-EP2305682A1; 11069-EP2308840A1; 11069-EP2308841A2; 11069-EP2308848A1; 11069-EP2308879A1; 11069-EP2311453A1; 11069-EP2311827A1; 11069-EP2311835A1; 11069-EP2311842A2; 11069-EP2314295A1; 11069-EP2314583A1; 11069-EP2314584A1; 11069-EP2314585A1; 11069-EP2314588A1; 11069-EP2314590A1; 11069-EP2314593A1; 11069-EP2316457A1; 11069-EP2316458A1; 11069-EP2316825A1; 11069-EP2316826A1; 11069-EP2316827A1; 11069-EP2316828A1; AB00053822_02; Ethanaminium, 2-hydroxy-N,N,N-trimethyl- (9CI); Q193166
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Species Origin Saccharomyces cerevisiae ...     Click to Show/Hide
Saccharomyces cerevisiae
Kingdom: Fungi
Phylum: Ascomycota
Class: Saccharomycetes
Order: Saccharomycetales
Family: Saccharomycetaceae
Genus: Saccharomyces
Species: Saccharomyces cerevisiae
Disease Asthma [ICD-11: CA23] Phase 3 [1]
Structure
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2D MOL

3D MOL

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Formula
C5H14NO+
PubChem CID
305
Canonical SMILES
C[N+](C)(C)CCO
InChI
1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChIKey
OEYIOHPDSNJKLS-UHFFFAOYSA-N
CAS Number
CAS 62-49-7
ChEBI ID
CHEBI:15354
Herb ID
HBIN020406
SymMap ID
SMIT00038
TCMSP ID
MOL000394
TTD Drug ID
D08DAE
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          Aspirin      Pain     Click to Show/Hide the Molecular Data of This Drug
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    In-vivo Model Eight-week-old male mice were induced of carrageenan paw edema.
                    Experimental
                    Result(s)		 Combined choline and aspirin therapy represented a significant synergistic interaction in attenuating acute inflammatory response.
Target and Pathway
Target(s) Neuronal acetylcholine receptor alpha-2 (CHRNA2)  Molecule Info  [3]
KEGG Pathway Neuroactive ligand-receptor interaction Click to Show/Hide
Panther Pathway Nicotinic acetylcholine receptor signaling pathway Click to Show/Hide
Reactome Highly calcium permeable postsynaptic nicotinic acetylcholine receptors Click to Show/Hide
2 Highly calcium permeable nicotinic acetylcholine receptors
WikiPathways Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell Click to Show/Hide
References
Reference 1 ClinicalTrials.gov (NCT02371993) Asthma in the Elderly: A Study of Choline Supplementation
Reference 2 Synergistic interaction between choline and aspirin against acute inflammation induced by carrageenan and lipopolysaccharide. Int Immunopharmacol. 2014 May;20(1):229-37.
Reference 3 Pharmacology of the agonist binding sites of rat neuronal nicotinic receptor subtypes expressed in HEK 293 cells. Bioorg Med Chem Lett. 2004 Apr 19;14(8):1845-8.
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