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CHEBI:90138 - phenylalanine betaine

ChEBI IDCHEBI:90138
ChEBI Namephenylalanine betaine
Stars
DefinitionAn amino acid betaine derived from phenylalanine.
Last Modified14 April 2016
Submittermwilliams
DownloadsMolfile
FormulaC12H17NO2
Net Charge0
Average Mass207.273
Monoisotopic Mass207.12593
SMILESC[N+](C)(C)C(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
InChIKeyXTFQIRIHLGODFV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090)
- MetaboLights (MTBLS88)
- MetaboLights (MTBLS87)
- DOI (10.1371/journal.pone.0115359)
ChEBI Ontology
Outgoing Relation(s)
phenylalanine betaine (CHEBI:90138) is a amino-acid betaine (CHEBI:22860)
phenylalanine betaine (CHEBI:90138) is a phenylalanine derivative (CHEBI:25985)
Incoming Relation(s)
D-phenylalanine betaine (CHEBI:125833) is a phenylalanine betaine (CHEBI:90138)
L-phenylalanine betaine (CHEBI:125805) is a phenylalanine betaine (CHEBI:90138)
IUPAC Name 
phenyl(trimethylazaniumyl)acetate
Synonym  Source
N,N,N-trimethylphenylalanineChEBI