CHT

CHOLINE ION

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

Find Related PDB Entry
66 entries where CHT is found as a standalone ligand2 entries where CHT is covalently linked to polymer or other heterogen groups

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	1
Atom Count	21
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	CHOLINE ION
Systematic Name (OpenEye OEToolkits)	2-hydroxyethyl-trimethyl-azanium
Formula	C₅ H₁₄ N O
Molecular Weight	104.171
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OCC[N+](C)(C)C
SMILES	CACTVS	3.341	C[N+](C)(C)CCO
SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)CCO
Canonical SMILES	CACTVS	3.341	C[N+](C)(C)CCO
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)CCO
InChI	InChI	1.03	InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChIKey	InChI	1.03	OEYIOHPDSNJKLS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB00122
Name	Choline
Groups	approved nutraceutical
Description	A 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	Choline bitartrate Choline chloride Choline Vitamin J N-trimethylethanolamine trimethylethanolamine Choline ion N,N,N-trimethylethanol-ammonium Bilineurine
Brand Names	Glyco Lite Ect Pro Pcos Citrus Choline 250 mg Cholinex Tab 200mg Vita-B Livita Adults Nrg Plus Liq Ultra Hr Sentrazolpidem PM-5 Stress Formula B-comp + 500mg Vit C Tab L Fac Tab Mega Plex III - Pck Vit-HA Multi Vitamin and Zinc Supplement Vitamin B Tablets Iron, Vit & Min Supp Vitaphil DHA Vitamin B Compound W Vit C 250mg Tab Choline 250mg Sentraflox AM-10 B-complex Super Vita Vim Multivitamins and Minerals Mega Vitaminerals Lipovite Mega Lipotropic Cap Cavan Prenatal Multivitamine Mangadyn Bev-lipo-1000 Mega-vim 75 With Beta-carotene - Tablets Phytovim Cap B50 Complex Liqui Vita Super Daily No 2 Gaboxetine Strazepam Chromium and Vanadium Mineral Supplement Vita Vim Multivitamins and Minerals Tab Stress Vitamin B With C Complex Tablets Vege 1 Daily Tab B-complex With Vitamin C, Biotin, Folic Acid Multivitamin & Multimineral B-complex 100 Pour Ma Santé Mega Plex IV - Pck Vita-worth B-complex Tablets Advanced 2000 Capsules Choline Bitartrate 100mg-tab Glyco Plus Ect B Complex 25mg Vitamin Supplement Revit Multi-vitamins and Minerals Revitalize Multi-vitamin and Mineral Complex Gabavale-5 Vege Swiss One Multivitamin W Chel Mins Tab Liqui B Complex NESTABS ABC Prenatal Multi-vitamin/Mineral Supplement with DHA/EPA Timed Release Vita-vim Srt Vitamin B + C Cap Usana Megavitamin Tablets - Tab Formula Cm Choline Caps 350mg Spectrum 2 Cap Extra Once A Day L.C. Supplement Timed Release B Complex 100 Srt B-100 Caps Multivitamin & Minerals (iron Free) Sentradine Choline Ctr Srt 400mg Master Key Multi Vitamin Multi Mineral Formula 2 Formula Gly Hi Potency B Complex W Chelated Minerals Formula F L W Maxum Multi-vite Bev 29 Tab Formula Lf One A Day Tab Stressmates Swiss One Timed Release Tab Men's 50+ Vitalife - Capsule Prenatal Formula Tab Multi Spectrum - Tablet New Chapter's D'adamo 4 Your Type Multiple for Type O Proteminal Multivitamins and Minerals for Young Men Stress Forte Plus Lipotropic Factors Women's Formula Card-floe II Tab Maximum Once A Day Gabazolamine Complete One-A-day - Tab Dp 2000 Hyporyl - Tab Mega 13 Multivitamin Formula Red American Eagle Vitamin Supplement Drink Hoa 1 Multi-force for Adults Tab Multivitamins and Minerals for Women Time Release B 100 Compound - Tablet Multicaps Prenatal Vi-min Vitaplex Senophylline Men's Biomultiple Vitamin and Mineral Supplement Complete One A Day Tab Nutri-Tab OB plus DHA Olympian Multi Vit Plus Minerals Tab Vita-vim With Beta-carotene - Tab Rocky Mountain Multiple Vit and Min Mega Tab B-50 Complex Gabazolpidem-5 Sentroxatine 50 Plus C. Vit-min Formula Vita Vim With Beta Carotene-caplet Palm Spring's PM Form Tab Vitamin & Mineral Formula 1 Dietary Supplement Vitamin B Compound W C Tab 500mg Stress B&c Tab Fusion PM Formula Tab Complexe B Compose 75 Right Choice P.M. Multi Formula - Caplet Multi B Lip - Fac Formula B-plex Harvest Of Values All B Complex Tab Lipotropic Adjunct Women's Biomultiple Vitamin and Mineral Supplement H.W. Children's Chewable Multi Vit & Mineral Prometa Vita Balance 2000 Vita-vim - Tab Balanced B 125 Srt Stress B With 1000 Mg Vitamin C Super B Compound W 500mg Vit C Gnc Choline/inositol 250mg Tablets Orti B Multitabs Alertonic Derma-force Multi Plex II - Tab Gabitidine Insur-all Vitamin Supplement Ultr F/b E.S. Mega Lipotropic Fmla W B6bet Twin Opti Pwr Fem - Pmt Sentravil PM-25 Liquid B Complex 50 Hi Potency Multi Tab V-Natal Lipall Plus Tab Maxine Vitamin and Mineral Supplement Multi Vitamin-mineral Formula Prenatryl NESTABS Prenatal Multi-vitamin/Mineral Supplement Mega Balance Vitaphil 90 DHA Essential B Tablets Doctor's Choice Brand for Men Children's Chewable Multivitamins and Minerals Daily Energy Brand B-complex Onccor Natural Source Spectrum With Beta Carotene Livertal 36 Hi Potency Stress B Tension With C Vitamin B Complex 50 For-2 Prenatrix Low Potency B Complex Tab Vitamin B Complex Suppl Pre-Tabs DHA Prenatal Multi-vitamin/Mineral Supplement with DHA/EPA Children's Chew Multi & Min Tab NESTABS DHA Prenatal Multi-vitamin/Mineral Supplement with DHA/EPA Super Stress Capsules Complete Multivitamins and Minerals Tablets Timed Release Men's Multi Master Formula Twin G.F. Powder Vanilla Flavor Stress Formula Multi-B Comp + 500mg Vit C Cap VITAFOL Gummies Deriton B-50 Hi Potency B Vitamins Tab Vit B Complex Ctr B-100 Hi Potency B Vitamins Tab Duet DHA Balanced Multipack II Sentralopram AM-10 Swiss One Multi Vit & Chel Min Tab Multi-phyto Capsules Liqui B Complex Plus B-complex 50 Choline Inositol Methionine Super-pote Vitamin Supplement Forty Plus Vitamin Supplement Gesticare DHA Stress B Capsules With Vitamin C Lipotropics 600 Tab Sentrazolam AM Ultimate Tab Multi Tabs Super Multi Mega Capsules Choline Bitartrate 500 Mg - Tablet American Eagle Energizer Plus Vitamin Supplement Drink Multivitamins and Minerals With Betacarotene Tablets Nitro Vites - Tab Super Vita-vim With Beta-carotene - Tab Lipotrope Tab One A Day Multiple Vit W Minerals 24 Multivitamins + Minerals Betacol Trazamine Gabazolamine-0.5 Vasula Tab Stom #2 B Complex 50+ Caplet Vita B Complex Tab Formula Hh Vitamin B Complex W C Tab American Plus Energy & Vitamin Drink B 50 Capsules Choline & Inositol Caps B-complex Tab B Complex 50 Vitamin Cap Super Stress Mega B Plus 1000mg Vit C Tab Multi Plex I - Tab Lipo-B-C Tab Pretrate Alkadrenergy Tablets Stress Formula Vit B With C Complex Multivitamins and Minerals for Men Children's Chewable Vit and Min Tab Innersource Tab Stress Ctr Srt Timed Release B-complex 50 Vitamin B Complex 100 Tab Choline Tab 250mg Lipotropic Ctr Multi Flow Tablets Multiple Vitamins and Minerals Capsules Maintain Multiple Vitamin & Minerals B-complex-50 Tab Complete Mega B Mini-B Tab Timed Release B-complex 100 Multi-force for Women Tab Multi II IV Vi Tab Multivitamins and Minerals for Young Women Pro Hers Vanilla Vita Plex Tab Only One - Tablet Multra With Iron Swiss One Choline and Inositol 250mg/250mg Lipotrope-plus B6 Tab Bev B-150 Twin G.F. Powder Nutri-Tab OB Body Tropics Plus Tab Multra Plex Swiss One Multivitamin and Mineral Caplet Hi Potency B52 B Complex Tab Prenatal, DHA Classic Swiss One 10 Multivitamin and Mineral Tab Phytopure B-plus - Tab Nata Komplete Folic Acid Plus Biosculpt B-100 Vitamin Supplement Protect Plus SO 60 B Compound 50mg Tab Wellness Formula Stress B & C Caplet Lipo Factors Plus B6 Magnum-75 Vitamin and Mineral Supplement Livita Children Grand Master Formula Tab Body Rox
Indication	For nutritional supplementation, also for treating dietary shortage or imbalance
Categories	Alcohols Amines Amino Alcohols Analgesics Antimetabolites Central Nervous System Agents Dietary Supplements Ethanolamines Gastrointestinal Agents Hypolipidemic Agents Lipid Regulating Agents Lipotropic Agents Nervous System Nootropic Agents OCT1 inhibitors OCT1 substrates OCT2 Inhibitors OCT2 Substrates Onium Compounds Other Nutritional Agents Quaternary Ammonium Compounds Salicylic Acid and Derivatives Supplements Trimethyl Ammonium Compounds Vitamin B Complex Vitamins
CAS number	62-49-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Neuronal acetylcholine receptor subunit alpha-7	MRCSPGGVWLALAASLLHVSLQGEFQRKLYKELVKNYNPLERPVANDSQP...	unknown
Choline-phosphate cytidylyltransferase B	MPVVTTDAESETGIPKSLSNEPPSETMEEIEHTCPQPRLTLTAPAPFADE...	unknown	product of
Acetylcholinesterase	MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRG...	unknown	product of
Choline-phosphate cytidylyltransferase A	MDAQCSAKVNARKRRKEAPGPNGATEEDGVPSKVQRCAVGLRQPAPFSDE...	unknown	product of
Phospholipase D2	MTATPESLFPTGDELDSSQLQMESDEVDTLKEGEDPADRMHPFLAIYELQ...	unknown	product of
Cholinesterase	MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFG...	unknown	product of
Phospholipase D1	MSLKNEPRVNTSALQKIAADMSNIIENLDTRELHFEGEEVDYDVSPSDPK...	unknown	product of
Phosphoethanolamine/phosphocholine phosphatase	MSGCFPVSGLRCLSRDGRMAAQGAPRFLLTFDFDETIVDENSDDSIVRAA...	unknown	product of
Choline/ethanolaminephosphotransferase 1	MSGHRSTRKRCGDSHPESPVGFGHMSTTGCVLNKLFQLPTPPLSRHQLKR...	unknown	substrate
Choline/ethanolamine kinase	MAAEATAVAGSGAVGGCLAKDGLQQSKCPDTTPKRRRASSLSRDAERRAY...	unknown	substrate
Choline O-acetyltransferase	MGLRTAKKRGLGGGGKWKREEGGGTRGRREVRPACFLQSGGRGDPGDVGG...	unknown	substrate
Choline kinase alpha	MKTKFCTGGEAEPSPLGLLLSCGSGSAAPAPGVGQQRDAASDLESKQLGG...	unknown	substrate
Choline dehydrogenase, mitochondrial	MWCLLRGLGRPGALARGALGQQQSLGARALASAGSESRDEYSYVVVGAGS...	unknown	substrate
Solute carrier family 22 member 2	MPTTVDDVLEHGGEFHFFQKQMFFLLALLSATFAPIYVGIVFLGFTPDHR...	unknown	substrate,inhibitor
Solute carrier family 22 member 1	MPTVDDILEQVGESGWFQKQAFLILCLLSAAFAPICVGIVFLGFTPDHHC...	unknown	substrate,inhibitor
Solute carrier family 22 member 3	MPSFDEALQRVGEFGRFQRRVFLLLCLTGVTFAFLFVGVVFLGTQPDHYW...	unknown	inhibitor
Solute carrier family 22 member 5	MRDYDEVTAFLGEWGPFQRLIFFLLSASIIPNGFTGLSSVFLIATPEHRC...	unknown	inhibitor
Solute carrier family 22 member 4	MRDYDEVIAFLGEWGPFQRLIFFLLSASIIPNGFNGMSVVFLAGTPEHRC...	unknown	inhibitor
Choline transporter-like protein 1	MGCCSSASSAAQSSKREWKPLEDRSCTDIPWLLLFILFCIGMGFICGFSI...	unknown	substrate
Choline transporter-like protein 4	MGGKQRDEDDEAYGKPVKYDPSFRGPIKNRSCTDVICCVLFLLFILGYIV...	unknown	substrate
Choline transporter-like protein 2	MGDERPHYYGKHGTPQKYDPTFKGPIYNRGCTDIICCVFLLLAIVGYVAV...	unknown	substrate
Choline transporter-like protein 3	MHCLGAEYLVSAEGAPRQREWRPQIYRKCTDTAWLFLFFLFWTGLVFIMG...	unknown	substrate
High affinity choline transporter 1	MAFHVEGLIAIIVFYLLILLVGIWAAWRTKNSGSAEERSEAIIVGGRDIG...	unknown	substrate
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 Name	Reference
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