beta-alanine betaine (CHEBI:28825)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	β-alanine betaine

ChEBI ID	CHEBI:28825

ChEBI ASCII Name	beta-alanine betaine

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:10344, CHEBI:22822

Supplier Information

Download	Molfile XML SDF

Formula

C6H13NO2

Net Charge

Average Mass

131.17296

Monoisotopic Mass

131.09463

InChI

InChI=1S/C6H13NO2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3

InChIKey

ACZVSMNFVFBOTM-UHFFFAOYSA-N

SMILES

C[N+](C)(C)CCC([O-])=O

Metabolite of Species	Details
Plumbaginaceae (NCBI:txid4437)	See: PubMed

Roles Classification
Biological Role(s):	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	β-alanine betaine (CHEBI:28825) has role plant metabolite (CHEBI:76924) β-alanine betaine (CHEBI:28825) is a β-alanine derivative (CHEBI:22823) β-alanine betaine (CHEBI:28825) is a amino-acid betaine (CHEBI:22860)

IUPAC Name

3-(trimethylammonio)propanoate

Last Modified

03 October 2014