Betaine
Betaine synonyms
BRN 3537113; Trimethylaminoacetic acid; Oxyneurine; Betaine; Trimethylglycocoll; Trimethylaminoacetate; (Carboxymethyl)trimethylammonium hydroxide, inner salt; Rubrine C; Loramine AMB 13; Glycylbetaine; Glycine, trimethylbetaine
Graphical representations:
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: 122.095752792
InChI string: InChI=1/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
IUPAC: 2-trimethylammonioacetate
PubChem Compound (CID): 247KEGG 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
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)