Record Information
Version1.0
Creation date2015-10-09 22:27:11 UTC
Update date2017-01-19 02:36:09 UTC
FoodComEx IDPC000001
FoodDB RecordFDB009020
Chemical Information
NameBetaine
DescriptionBetaine or trimethylglycine is a methylated derivative of glycine. It functions as a methyl donor in that it carries and donates methyl functional groups to facilitate necessary chemical processes. The donation of methyl groups is important to proper liver function, cellular replication, and detoxification reactions. Betaine also plays a role in the manufacture of carnitine and serves to protect the kidneys from damage. Betaine has also been of interest for its role in osmoregulation. As a drug, betaine hydrochloride has been used as a source of hydrochloric acid in the treatment of hypochlorhydria. Betaine has also been used in the treatment of liver disorders, for hyperkalemia, for homocystinuria, and for gastrointestinal disturbances. (From Martindale, The Extra Pharmacopoeia, 30th Ed, p1341). Betaine is found in many foods, some of which are potato puffs, poppy, hazelnut, and garden cress.
CAS Number107-43-7
Structure
Thumb
Synonyms
SynonymSource
(carboxymethyl)trimethylammonium hydroxide inner saltbiospider
(carboxymethyl)trimethylammonium hydroxide, inner saltbiospider
(carboxymethyl)trimethylammonium inner saltbiospider
(trimethyl-α-earleinebiospider
(trimethylammonio)acetatebiospider
(trimethylammoniumyl)acetatebiospider
(Trimethylammoniumyl)acetic acidGenerator
α-earleinebiospider
βinebiospider
βine (van)biospider
1-carboxy-N,N,N-trimethyl-Methanaminiumbiospider
1-carboxy-N,N,N-trimethyl-Methanaminium hydroxidebiospider
1-Carboxy-N,N,N-trimethylmethanaminium inner saltbiospider
2-(Trimethylammonio)ethanoic acid, hydroxide, inner saltbiospider
2-N,N,N-Trimethylammonio acetateChEBI
2-N,N,N-Trimethylammonio acetic acidGenerator
A-earleinebiospider
Abrominebiospider
Acidin-pepsinbiospider
AcidolChEBI
Alpha-earleinebiospider
Aminocoatbiospider
Aquadew AN 100biospider
BetChEBI
Betafinbiospider
Betafin BCRbiospider
Betafin BPbiospider
Betainebiospider
Betaine (8CI)biospider
Betaine hydrochloridebiospider
Betaine, anhydrousbiospider
Betainum muriaticumbiospider
Cystadanebiospider
Cystadane (TN)biospider
Ektasolve eeHMDB
Finnstimbiospider
Glycine βinebiospider
Glycine betainebiospider
Glycine, trimethylβinebiospider
Glycine, trimethylbetainebiospider
Glycocoll βinebiospider
Glycocoll betainebiospider
GLYCYLβinebiospider
Glycylbetainebiospider
Glykokollbetainbiospider
Greenstimbiospider
Jortainebiospider
Loramine amb 13HMDB
Loramine AMB-13biospider
Lycinebiospider
Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxidebiospider
Methanaminium, 1-carboxy-N,N,N-trimethyl-, inner saltbiospider
Methanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt (9CI)biospider
Methanaminium, carboxy-n,n,n-trimethyl-, inner saltbiospider
N,n,n-trimethylammonioacetatebiospider
N,N,N-Trimethylammonioacetic acidGenerator
N,n,n-trimethylglycinebiospider
Oxyneurinebiospider
Rubrine cbiospider
Trimethylaminoacetatebiospider
Trimethylaminoacetic acidbiospider
Trimethylammonioacetatebiospider
Trimethylammonioacetic acidGenerator
Trimethylbetaine glycinebiospider
Trimethylglycinebiospider
Trimethylglycocollbiospider
Trimethylglycocoll anhydridebiospider
Chemical FormulaC5H11NO2
IUPAC name2-(trimethylazaniumyl)acetate
InChI IdentifierInChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
InChI KeyKWIUHFFTVRNATP-UHFFFAOYSA-N
Isomeric SMILESC[N+](C)(C)CC([O-])=O
Average Molecular Weight117.1463
Monoisotopic Molecular Weight117.078978601
Chemical Taxonomy
Description belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acids
Alternative Parents
Substituents
  • Alpha-amino acid
  • Quaternary ammonium salt
  • Tetraalkylammonium salt
  • Carboxylic acid salt
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organic salt
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Amine
  • Organic nitrogen compound
  • Organic oxide
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water Solubility611 mg/mL at 19 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting Point293 oC ( Soicke, H., Fitoterapia 1988, V59(1), P73-5)
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 5 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci G671
Glentham GE1604
MetaSci HMDB0000043
Sigma-Aldrich HMDB0000043
Toronto Research Chemicals B325005