Choline

Choline bmse000285 - Data bmse000953 - Data bmse001003 - Data bmst000221 - Theory

Choline synonyms

AI3-24208; Choline cation; 2-Hydroxy-N,N,N-trimethylethanaminium; Ethanaminium, 2-hydroxy-N,N,N-trimethyl-; BRN 1736748; Cholinum; (2-Hydroxyethyl)trimethylammonium; Choline ion; CHOLINE; Bilineurine

Wikipedia:

Graphical representations:

Choline

View large 3D structure

Molecular Formula: C5H14NO+

Natural Isotopic Abundance Mass: 104.1702114201

Mono-Isotopic Molecular Masses:

  • C12N14: 104.106990497
  • C13N14: 109.123764686
  • C12N15: 105.10402539
  • C13N15: 109.123764686

InChI string: InChI=1/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1

IUPAC: 2-hydroxyethyl-trimethyl-azanium

PubChem Compound (CID): 305
KEGG Compound ID: C00114
ChemIDplus: 000062497
CAS Registry number: 67-48-1 62-49-7 139741-81-4
EINECS: 200-535-1
CCRIS: 5847
Beilstein Handbook Reference: 3-04-00-00651

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)