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CHEBI:76864 - (2S,3S)-β-methylphenylalanine zwitterion

ChEBI IDCHEBI:76864
ChEBI Name(2S,3S)-β-methylphenylalanine zwitterion
Stars
ASCII Name(2S,3S)-beta-methylphenylalanine zwitterion
DefinitionAn amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of (2S,3S)-β-methylphenylalanine; major species at pH 7.3.
Last Modified25 November 2024
SubmitterKAX
DownloadsMolfile
FormulaC10H13NO2
Net Charge0
Average Mass179.219
Monoisotopic Mass179.09463
SMILESC[C@@H](c1ccccc1)[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C10H13NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3,(H,12,13)/t7-,9-/m0/s1
InChIKeyIRZQDMYEJPNDEN-CBAPKCEASA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-β-methylphenylalanine zwitterion (CHEBI:76864) is a amino-acid zwitterion (CHEBI:35238)
(2S,3S)-β-methylphenylalanine zwitterion (CHEBI:76864) is tautomer of (2S,3S)-β-methylphenylalanine (CHEBI:77031)
Incoming Relation(s)
(2S,3S)-β-methylphenylalanine (CHEBI:77031) is tautomer of (2S,3S)-β-methylphenylalanine zwitterion (CHEBI:76864)
IUPAC Name 
(2S,3S)-2-azaniumyl-3-phenylbutanoate
Synonyms  Source
(2S,3S)-2-ammonio-3-phenylbutanoateIUPAC
(3S)-3-methyl-L-phenylalanine zwitterionChEBI
(βS)-β-methyl-L-phenylalanine zwitterionChEBI
UniProt Name  Source
(3S)-3-methyl-L-phenylalanineUniProt
Manual XrefsDatabases
CPD-15345MetaCyc
Citations