CHT

CHOLINE ION

Created:2001-02-07
Last modified:  2024-09-27

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Chemical Details

Formal Charge1
Atom Count21
Chiral Atom Count0
Bond Count20
Aromatic Bond Count0
2D diagram of CHT

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Chemical Component Summary

NameCHOLINE ION
Systematic Name (OpenEye OEToolkits)2-hydroxyethyl-trimethyl-azanium
FormulaC5 H14 N O
Molecular Weight104.171
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OCC[N+](C)(C)C
SMILESCACTVS3.341C[N+](C)(C)CCO
SMILESOpenEye OEToolkits1.5.0C[N+](C)(C)CCO
Canonical SMILESCACTVS3.341 C[N+](C)(C)CCO
Canonical SMILESOpenEye OEToolkits1.5.0 C[N+](C)(C)CCO
InChIInChI1.03 InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChIKeyInChI1.03 OEYIOHPDSNJKLS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB00122 
NameCholine
Groups
  • nutraceutical
  • approved
DescriptionA basic constituent of lecithin that is found in many plants and animal organs. It is important as a precursor of acetylcholine, as a methyl donor in various metabolic processes, and in lipid metabolism.
Synonyms
  • Vitamin J
  • Choline ion
  • Choline bitartrate
  • Choline
  • Bilineurine
Brand Names
  • B-complex 100
  • Low Potency B Complex Tab
  • Vita-vim With Beta-carotene - Tab
  • B 50 Capsules
  • Multivitamine
IndicationFor nutritional supplementation, also for treating dietary shortage or imbalance
Categories
  • Alcohols
  • Amines
  • Amino Alcohols
  • Analgesics
  • Antimetabolites
CAS number62-49-7

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Neuronal acetylcholine receptor subunit alpha-2MGPSCPVFLSFTKLSLWWLLLTPAGGEEAKRPPPRAPGDPLSSPSPTALP...unknowninhibitor
Neuronal acetylcholine receptor subunit alpha-7MRCSPGGVWLALAASLLHVSLQGEFQRKLYKELVKNYNPLERPVANDSQP...unknown
Choline-phosphate cytidylyltransferase BMPVVTTDAESETGIPKSLSNEPPSETMEEIEHTCPQPRLTLTAPAPFADE...unknownproduct of
AcetylcholinesteraseMRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRG...unknownproduct of
Choline-phosphate cytidylyltransferase AMDAQCSAKVNARKRRKEAPGPNGATEEDGVPSKVQRCAVGLRQPAPFSDE...unknownproduct of
View More
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 305
ChEMBL CHEMBL920
ChEBI CHEBI:15354
CCDC/CSD IBUNOJ, HAWWAF, CHOCHL04, SAPQAE, NIJHOF, MOGZAJ, DIJCIJ, DEJWEX, LEKSAV, HAWVUY, HAWVAE, BAVBIL, HAWVOS, HAWVIM, GIBMIQ, KOYWAW, HAWVEI, BUFFUD, LEKRIC, LEKRUO, GIBMIQ04, GIBMIQ01, NORDAA, GIBMIQ05, HABBOD, GIBMIQ02, PEJVAE, GIBMIQ03, SOQVEB, DEJWEX01, LEKROI, HEGWIB, HABBIX, ODIHOZ, FOPMOM, COXYUK, ICUWAF, FIZNIO, KUKYUM, QEGFAJ, SIMSOZ, EJEZAX, EHIQAQ, EHIPUJ
COD 7229208