Betaine

Betaine synonyms

Trimethylaminoacetic acid; Oxyneurine; Trimethylglycocoll; Trimethylaminoacetate; (Carboxymethyl)trimethylammonium hydroxide, inner salt; Rubrine C; Loramine AMB 13; Glycylbetaine; Glycine, trimethylbetaine; BETAINE; Lycine

Wikipedia:

Graphical representations:

betaine

View large 3D structure

Molecular Formula: C5H11NO2

Natural Isotopic Abundance Mass: 117.1463400000

Mono-Isotopic Molecular Masses:

  • C12N14: 117.078978603
  • C13N14: 122.095752792
  • C12N15: 118.076013496
  • C13N15: 123.0927876847

InChI string: InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3

IUPAC: 2-trimethylammonioacetate

PubChem Compound (CID): 247
KEGG Compound ID: C00719
CAS Registry number: 107-43-7 11042-12-9 24980-93-6 45631-77-4 590-30-7 590-46-5
ChEBI: 17750
EINECS: 203-490-6
NSC: 166511
Beilstein Handbook Reference: 4-04-00-02369
PDB Compound ID: BET

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)