EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:68525 - (S)-3-amino-3-phenylpropanoic acid

ChEBI IDCHEBI:68525
ChEBI Name(S)-3-amino-3-phenylpropanoic acid
Stars
ASCII Name(S)-3-amino-3-phenylpropanoic acid
DefinitionAn optically active form of 3-amino-3-phenylpropanoic acid having S-configuration.
Last Modified26 September 2012
SubmitterSteve
DownloadsMolfile
FormulaC9H11NO2
Net Charge0
Average Mass165.192
Monoisotopic Mass165.07898
SMILESN[C@@H](CC(=O)O)c1ccccc1
InChIInChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyUJOYFRCOTPUKAK-QMMMGPOBSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(S)-3-amino-3-phenylpropanoic acid (CHEBI:68525) is a 3-amino-3-phenylpropanoic acid (CHEBI:68528)
(S)-3-amino-3-phenylpropanoic acid (CHEBI:68525) is enantiomer of (R)-3-amino-3-phenylpropanoic acid (CHEBI:67172)
(S)-3-amino-3-phenylpropanoic acid (CHEBI:68525) is tautomer of (S)-3-ammonio-3-phenylpropanoate (CHEBI:68506)
Incoming Relation(s)
(R)-3-amino-3-phenylpropanoic acid (CHEBI:67172) is enantiomer of (S)-3-amino-3-phenylpropanoic acid (CHEBI:68525)
(S)-3-ammonio-3-phenylpropanoate (CHEBI:68506) is tautomer of (S)-3-amino-3-phenylpropanoic acid (CHEBI:68525)
IUPAC Name 
(3S)-3-amino-3-phenylpropanoic acid
Synonym  Source
(S)-β-phenylalanineChEBI
Manual XrefsDatabases
SFEPDBeChem
Registry NumbersSources
Reaxys:3197768Reaxys
Citations