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CHEBI:35280 - L-proline betaine

ChEBI IDCHEBI:35280
ChEBI NameL-proline betaine
Stars
ASCII NameL-proline betaine
DefinitionAn amino acid betaine that is L-proline zwitterion in which both of the hydrogens attached to the nitrogen are replaced by methyl groups.
Secondary ChEBI IDsCHEBI:9247, CHEBI:26272, CHEBI:26748, CHEBI:28218
Last Modified23 October 2015
SubmitterKirill Degtyarenko
DownloadsMolfile

FormulaC7H13NO2
Net Charge0
Average Mass143.186
Monoisotopic Mass143.09463
SMILESC[N+]1(C)CCC[C@H]1C(=O)[O-]
InChIInChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyCMUNUTVVOOHQPW-LURJTMIESA-N

Species of MetaboliteComponentSourceComments
Leonurus japonicus (ncbitaxon:4138) aerial part (BTO:0001658) PubMed (24704554)
Roles Classification

ChEBI Ontology
IUPAC Name 
(2S)-1,1-dimethylpyrrolidinium-2-carboxylate
Synonyms  Source
StachydrineKEGG COMPOUND
proline betaineChEBI
N,N-dimethyl-L-prolineChEBI
(S)-2-carboxylato-1,1-dimethylpyrrolidiniumChemIDplus
UniProt Name  Source
L-proline betaineUniProt
Manual XrefsDatabases
C10172KEGG COMPOUND
DB04284DrugBank
PBEPDBeChem
HMDB0004827HMDB
C00002074KNApSAcK
Registry NumbersSources
Reaxys:3542403Reaxys
CAS:471-87-4KEGG COMPOUND
CAS:471-87-4ChemIDplus
Citations