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CHEBI:28825 - β-alanine betaine

ChEBI IDCHEBI:28825
ChEBI Nameβ-alanine betaine
Stars
ASCII Namebeta-alanine betaine
DefinitionA β-alanine derivative arising from quaternisation of the nitrogen of β-alanine with three methyl groups and removal of the proton attached to the carboxy group. It is an osmoprotective compound accumulated by most members of the highly stress-tolerant Plumbaginaceae family.
Secondary ChEBI IDsCHEBI:10344, CHEBI:22822
Last Modified3 October 2014
DownloadsMolfile
FormulaC6H13NO2
Net Charge0
Average Mass131.175
Monoisotopic Mass131.09463
SMILESC[N+](C)(C)CCC(=O)[O-]
InChIInChI=1S/C6H13NO2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3
InChIKeyACZVSMNFVFBOTM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Plumbaginaceae (ncbitaxon:4437) - PubMed (11457974)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
β-alanine betaine (CHEBI:28825) has role plant metabolite (CHEBI:76924)
β-alanine betaine (CHEBI:28825) is a amino-acid betaine (CHEBI:22860)
β-alanine betaine (CHEBI:28825) is a β-alanine derivative (CHEBI:22823)
IUPAC Name 
3-(trimethylammonio)propanoate
Synonyms  Source
beta-AlaninebetaineKEGG COMPOUND
beta-Alanine betaineKEGG COMPOUND
β-homobetaineChemIDplus
Manual XrefsDatabases
C08263KEGG COMPOUND
C00001334KNApSAcK
Registry NumbersSources
Beilstein:3588285Beilstein
Reaxys:3588285Reaxys
CAS:6458-06-6KEGG COMPOUND
CAS:6458-06-6ChemIDplus
Citations