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CHEBI:125805 - L-phenylalanine betaine

ChEBI IDCHEBI:125805
ChEBI NameL-phenylalanine betaine
Stars
ASCII NameL-phenylalanine betaine
DefinitionAn L-phenylalanine derivative obtained by trimethylation of the amino function of L-phenylalanine.
Last Modified14 April 2016
DownloadsMolfile
FormulaC12H17NO2
Net Charge0
Average Mass207.273
Monoisotopic Mass207.12593
SMILESC[N+](C)(C)[C@@H](Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C12H17NO2/c1-13(2,3)11(12(14)15)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1
InChIKeyXTFQIRIHLGODFV-NSHDSACASA-N
ChEBI Ontology
Outgoing Relation(s)
L-phenylalanine betaine (CHEBI:125805) is a L-phenylalanine derivative (CHEBI:84144)
L-phenylalanine betaine (CHEBI:125805) is a phenylalanine betaine (CHEBI:90138)
L-phenylalanine betaine (CHEBI:125805) is enantiomer of D-phenylalanine betaine (CHEBI:125833)
Incoming Relation(s)
DL-phenylalanine betaine (CHEBI:126238) has part L-phenylalanine betaine (CHEBI:125805)
D-phenylalanine betaine (CHEBI:125833) is enantiomer of L-phenylalanine betaine (CHEBI:125805)
IUPAC Name 
(2S)-3-phenyl-2-(trimethylazaniumyl)propanoate
Synonyms  Source
N,N,N-trimethyl-L-phenylalanineChEBI
L-N,N,N-trimethylphenylalanineChEBI
Registry NumbersSources
Reaxys:3591811Reaxys