Ligand
Ligand Name:   ACETYLCHOLINE
Ligand Type:   non-polymer
Ligand ID:   COVPDB481 PubChem:   187
Synonym(s):  
  •   choline acetate
  • o-acetylcholine
  • 51-84-3
  • (2-acetoxyethyl)trimethylammonium
  • acetyl choline ion
  • acetylcholinum
  • acetyl choline cation
  • ach
  • choline acetate (ester)
  • 2-(acetyloxy)-n,n,n-trimethylethanaminium
  • azetylcholin
  • ethanaminium, 2-(acetyloxy)-n,n,n-trimethyl-
  • 2-acetyloxyethyl(trimethyl)azanium
  • unii-n9yns0m02x
  • brn 1764436
  • chebi:15355
  • chembl667
  • n9yns0m02x
  • 2-acetyloxyethyl-trimethylazanium
  • [2-(acetyloxy)ethyl]trimethylazanium
  • ethanaminium, 2-(acetyloxy)-n,n,n-trimethyl- (9ci)
  • [3h]acetylcholine
  • ncgc00018123-05
  • einecs 200-128-9
  • col acetate
  • 2rin
  • 3rqw
  • acetylcholine cation
  • (14c)acetylcholine
  • (14c)-acetylcholine
  • spectrum_000022
  • 2ha4
  • 2xz5
  • spectrum2_001258
  • spectrum3_000286
  • spectrum4_000136
  • spectrum5_000762
  • epitope id:176773
  • cid_6060
  • schembl3216
  • bspbio_001792
  • gtpl294
  • kbiogr_000552
  • kbioss_000382
  • 4-04-00-01446 (beilstein handbook reference)
  • divk1c_000686
  • spbio_001196
  • acetylcholinium: acetyl-choline
  • gtpl8593
  • (2-acetoxyethyl)trimetilammonium
  • dtxsid8075334
  • bdbm10759
  • kbio1_000686
  • kbio2_000382
  • kbio2_002950
  • kbio2_005518
  • kbio3_001292
  • ninds_000686
  • hms2089a14
  • zinc3079336
  • nsc800293
  • db03128
  • mcule-7765616505
  • nsc-800293
  • 2-acetyloxy-n,n,n-trimethylethanaminium
  • idi1_000686
  • 2-acetoxyethyl(trimethyl)ammonium;bromide
  • ncgc00018123-01
  • ncgc00018123-02
  • ncgc00018123-03
  • ncgc00018123-04
  • ncgc00021161-03
  • ncgc00021161-04
  • ncgc00163215-01
  • sbi-0051271.p003
  • 2-acetoxyethyl(trimethyl)ammonium;perchlorate
  • ft-0689161
  • ethanaminium, 2-(acetyloxy)-n,n,n-trimethyl
  • 4774-ep2269989a1
  • 4774-ep2272537a2
  • 4774-ep2275420a1
  • 4774-ep2280006a1
  • 4774-ep2280010a2
  • 4774-ep2281813a1
  • 4774-ep2281824a1
  • 4774-ep2284171a1
  • 4774-ep2287163a1
  • 4774-ep2295437a1
  • 4774-ep2298734a2
  • 4774-ep2298758a1
  • 4774-ep2298759a1
  • 4774-ep2298772a1
  • 4774-ep2298775a1
  • 4774-ep2305644a1
  • 4774-ep2305664a1
  • 4774-ep2305675a1
  • 4774-ep2305678a1
  • 4774-ep2308839a1
  • 4774-ep2308873a1
  • 4774-ep2308875a1
  • 4774-ep2308876a1
  • 4774-ep2311823a1
  • 4774-ep2311828a1
  • 4774-ep2311831a1
  • 4774-ep2314571a2
  • 4774-ep2316836a1
  • c01996
  • 21686-ep2272972a1
  • 21686-ep2272973a1
  • 21686-ep2277872a1
  • 21686-ep2314571a2
  • 21686-ep2371803a1
  • 21686-ep2377843a1
  • ab00053790-25
  • ab00053790_26
  • ab00053790_27
  • l000783
  • q180623
  • 2-(acetyloxy)-n,n,n-trimethylethanaminium labeled with carbon-14
  • ethanaminium, 2-(acetyloxy)-n,n,n-trimethyl-, labeled with carbon-14 (9ci)
  • 14047-05-3
show 120 synonym(s)
DrugBank:   DB03128 ChEMBL:   CHEMBL667
Canonical SMILES:   CC(=O)OCC[N+](C)(C)C
Standard InChI:   InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
Molecular Formula:   C7H16NO2+ Mol. Weight:   146.11755 logP:   0.2557
HBD:   0 HBA:   2
#Rotatable Bonds:   3 TPSA:   26.3

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Acetylcholinesterase P04058 (ACES_TETCF) Tetronarce californica (Pacific electric ray) (Torpedo californica) 2ACE ACH
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