L-proline betaine (CHEBI:35280)

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ChEBI Name	L-proline betaine

ChEBI ID	CHEBI:35280

ChEBI ASCII Name	L-proline betaine

Definition	An amino acid betaine that is L-proline zwitterion in which both of the hydrogens attached to the nitrogen are replaced by methyl groups.

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

Secondary ChEBI IDs	CHEBI:26272, CHEBI:26748, CHEBI:28218, CHEBI:9247

Supplier Information	eMolecules:1936021

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Formula

C7H13NO2

Net Charge

Average Mass

143.18360

Monoisotopic Mass

143.09463

InChI

InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1

InChIKey

CMUNUTVVOOHQPW-LURJTMIESA-N

SMILES

C[N+]1(C)CCC[C@H]1C([O-])=O

Metabolite of Species	Details
Leonurus japonicus (NCBI:txid4138)	Found in aerial part (BTO:0001658). See: PubMed

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	food component A physiological role played by any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

ChEBI Ontology
Outgoing	L-proline betaine (CHEBI:35280) has functional parent L-prolinium (CHEBI:32864) L-proline betaine (CHEBI:35280) has role food component (CHEBI:78295) L-proline betaine (CHEBI:35280) has role human blood serum metabolite (CHEBI:85234) L-proline betaine (CHEBI:35280) has role plant metabolite (CHEBI:76924) L-proline betaine (CHEBI:35280) is a N-methyl-L-α-amino acid (CHEBI:21752) L-proline betaine (CHEBI:35280) is a alkaloid (CHEBI:22315) L-proline betaine (CHEBI:35280) is a amino-acid betaine (CHEBI:22860) L-proline betaine (CHEBI:35280) is conjugate base of N,N-dimethyl-L-prolinium (CHEBI:44813) L-proline betaine (CHEBI:35280) is enantiomer of D-proline betaine (CHEBI:134398)

Incoming	N,N-dimethyl-L-prolinium (CHEBI:44813) is conjugate acid of L-proline betaine (CHEBI:35280) D-proline betaine (CHEBI:134398) is enantiomer of L-proline betaine (CHEBI:35280)

IUPAC Name

(2S)-1,1-dimethylpyrrolidinium-2-carboxylate

Synonyms	Sources
(S)-2-carboxylato-1,1-dimethylpyrrolidinium	ChemIDplus
L-proline betaine	UniProt
N,N-dimethyl-L-proline	ChEBI
proline betaine	ChEBI
Stachydrine	KEGG COMPOUND

Citations

Last Modified

23 October 2015