Acetylcholine
Acetylcholine synonyms
2-(Acetyloxy)-N,N,N-trimethylethanaminium; Ach; Choline acetate (ester); Acetyl choline cation; Choline acetate; (2-Acetoxyethyl)trimethylammonium; Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl- (9CI); Ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-; ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl-; 2-(acetyloxy)-N,N,N-trimethylethanaminium; acetylcholine
Graphical representations:
View large 3D structure
Molecular Formula: C7H16NO2+
Natural Isotopic Abundance Mass: 146.20744
Mono-Isotopic Molecular Masses:
- C12N14: 146.118103763
- C13N14: 153.1415876276
- C12N15: 147.1151386562
- C13N15: 154.1386225208
InChI string: InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
PubChem Compound (CID): 187CAS Registry number: 66-23-9 51-84-3
ChemSpider: 13871862
EINECS: 200-128-9
NMRShiftDB: 10017763
KEGG Compound ID: C01996
BioCyc: ACETYLCHOLINE
Beilstein Handbook Reference: 4-04-00-01446
ChemIDplus: 000051843
PDB Compound ID: ACH
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)