Choline

Details

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Internal ID fc595ddf-7b86-4043-9e52-d8fc52da3abb
Taxonomy Organic nitrogen compounds > Organonitrogen compounds > Quaternary ammonium salts > Cholines
IUPAC Name 2-hydroxyethyl(trimethyl)azanium
SMILES (Canonical) C[N+](C)(C)CCO
SMILES (Isomeric) C[N+](C)(C)CCO
InChI InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChI Key OEYIOHPDSNJKLS-UHFFFAOYSA-N
Popularity 24,519 references in papers

Physical and Chemical Properties

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Molecular Formula C5H14NO+
Molecular Weight 104.17 g/mol
Exact Mass 104.107539070 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP -0.40

Synonyms

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Choline ion
Bilineurine
62-49-7
Choline cation
Cholinum
2-Hydroxy-N,N,N-trimethylethanaminium
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-
(2-Hydroxyethyl)trimethylammonium
trimethylethanolamine
vitamin J
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Choline

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.51% 96.09%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Achillea collina
Achillea millefolium
Aconitum liangshanicum
Aconitum sachalinense
Adonis vernalis
Aesculus turbinata
Ageratina gracilis
Alnus alnobetula
Aloe microstigma
Alstonia deplanchei
Alstonia muelleriana
Angelica acutiloba
Annona rensoniana
Antirrhinum majus
Arabidopsis thaliana
Archidendron clypearia
Argyreia nervosa
Aristolochia maxima
Artocarpus styracifolius
Asteriscus graveolens
Astragalus oxyphysus
Atriplex halimus
Baccharis megapotamica
Bauhinia forficata subsp. pruinosa
Bergenia purpurascens
Betula pendula subsp. mandshurica
Bischofia javanica
Brassica juncea
Bupleurum chinense
Bupleurum falcatum
Bupleurum scorzonerifolium
Cannabis sativa
Capsella bursa-pastoris
Caragana tibetica
Carapichea ipecacuanha
Catharanthus roseus
Centaurea glastifolia
Centrosema pascuorum
Ceratozamia fuscoviridis
Changium smyrnioides
Chelidonium majus
Chrozophora plicata
Citrus glauca
Combretum micranthum
Conioselinum anthriscoides
Coptis chinensis
Coptis deltoidea
Coptis japonica
Coptis teeta
Coreopsis nodosa
Crataegus sinaica
Critonia quadrangularis
Cullen corylifolium
Cuscuta reflexa
Dacrydium cupressinum
Discaria chacaye
Dorstenia mannii
Eupatorium serotinum
Euphorbia ferganensis
Euphorbia hirta
Euphorbia marschalliana subsp. armena
Ficus simplicissima
Flemingia macrophylla
Foeniculum vulgare
Forsythia giraldiana
Fumaria capreolata
Galanthus nivalis
Gardenia jasminoides
Glycine tomentella
Gomphrena martiana
Grindelia havardii
Gynura bicolor
Haplophyllum dauricum
Hemerocallis fulva
Isodon rubescens
Jasminum officinale
Krameria erecta
Lasiocephalus ovatus
Leonurus japonicus
Leucanthemum vulgare
Ligularia platyglossa
Macrotyloma axillare
Mallotus philippensis
Malus asiatica
Marrubium supinum
Melilotus officinalis
Melochia pyramidata
Mentzelia decapetala
Metalasia capitata
Mikania obtusata
Montrouziera sphaeroidea
Nelsonia canescens
Nicotiana undulata
Nierembergia linariifolia
Orthosphenia mexicana
Oxyanthus speciosus
Papaver somniferum
Parabaena sagittata
Passiflora incarnata
Perebea mollis
Pimpinella saxifraga
Plantago depressa
Plectranthus welwitschii
Poa huecu
Polygala myrtifolia
Polyscias scutellaria
Polystichum deltodon
Prunus dulcis
Prunus mahaleb
Pyrus pyraster
Quercus dentata
Rheum tanguticum
Rhodiola stephani
Rhynchopsidium pumilum
Sarcomelicope argyrophylla
Scrophularia wattii
Senecio candollei
Senecio latifolius
Senecio paludaffinis
Senecio peripotamus
Seriphidium cinum
Seriphidium vachanicum
Seseli libanotis subsp. intermedium
Sinapis alba
Solanum bahamense
Solanum elaeagnifolium
Spinacia oleracea
Stevia mercedensis
Stratiotes aloides
Strychnos tabascana
Styrax hookeri
Swertia diluta
Swinglea glutinosa
Thalictrum revolutum
Theobroma cacao
Thuja standishii
Tinospora cordifolia
Tinospora smilacina
Trigonella grandiflora
Trigonostemon reidioides
Tripolium pannonicum
Tropaeolum speciosum
Tussilago farfara
Uvaria calamistrata
Vatica diospyroides
Verbesina rupestris
Xanthium strumarium

Cross-Links

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PubChem 305
NPASS NPC136014
ChEMBL CHEMBL920
LOTUS LTS0170307
wikiData Q193166