CHEBI:68527 - 3-ammonio-3-phenylpropanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-ammonio-3-phenylpropanoate
ChEBI ID CHEBI:68527
Definition An amino-acid zwitterion arising form transfer of a proton from the carboxy to the amino group of 3-amino-3-phenylpropanoic acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H11NO2
Net Charge 0
Average Mass 165.18910
Monoisotopic Mass 165.079
InChI InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
InChIKey UJOYFRCOTPUKAK-UHFFFAOYSA-N
SMILES [NH3+]C(CC([O-])=O)c1ccccc1
ChEBI Ontology
Outgoing 3-ammonio-3-phenylpropanoate (CHEBI:68527) is a amino acid zwitterion (CHEBI:35238)
3-ammonio-3-phenylpropanoate (CHEBI:68527) is tautomer of 3-amino-3-phenylpropanoic acid (CHEBI:68528)
Incoming (R)-3-ammonio-3-phenylpropanoate (CHEBI:67158) is a 3-ammonio-3-phenylpropanoate (CHEBI:68527)
(S)-3-ammonio-3-phenylpropanoate (CHEBI:68506) is a 3-ammonio-3-phenylpropanoate (CHEBI:68527)
3-amino-3-phenylpropanoic acid (CHEBI:68528) is tautomer of 3-ammonio-3-phenylpropanoate (CHEBI:68527)
IUPAC Name
3-azaniumyl-3-phenylpropanoate
Synonyms Sources
3-amino-3-phenylpropanoic acid zwitterion ChEBI
β-phenylalanine zwitterion ChEBI
Last Modified
26 September 2012