EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:19929 - 3-hydroxy-3-phenylpropionic acid

ChEBI IDCHEBI:19929
ChEBI Name3-hydroxy-3-phenylpropionic acid
Stars
DefinitionA 3-hydroxy carboxylic acid that is 3-phenylpropionic acid in which one of the hydrogens β to the carboxy group is replaced by a hydroxy group.
Last Modified17 August 2015
DownloadsMolfile
FormulaC9H10O3
Net Charge0
Average Mass166.176
Monoisotopic Mass166.06299
SMILESO=C(O)CC(O)c1ccccc1
InChIInChI=1S/C9H10O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)
InChIKeyAYOLELPCNDVZKZ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-3-phenylpropionic acid (CHEBI:19929) has functional parent 3-phenylpropionic acid (CHEBI:28631)
3-hydroxy-3-phenylpropionic acid (CHEBI:19929) is a 3-hydroxy carboxylic acid (CHEBI:61355)
3-hydroxy-3-phenylpropionic acid (CHEBI:19929) is a monocarboxylic acid (CHEBI:25384)
3-hydroxy-3-phenylpropionic acid (CHEBI:19929) is conjugate acid of 3-hydroxy-3-phenylpropionate (CHEBI:63469)
Incoming Relation(s)
3-hydroxy-3-phenylpropionyl-CoA (CHEBI:71290) has functional parent 3-hydroxy-3-phenylpropionic acid (CHEBI:19929)
ethyl 2-hydroxy-3-phenylpropanoate (CHEBI:87513) has functional parent 3-hydroxy-3-phenylpropionic acid (CHEBI:19929)
(R)-3-hydroxy-3-phenylpropionic acid (CHEBI:51059) is a 3-hydroxy-3-phenylpropionic acid (CHEBI:19929)
(S)-3-hydroxy-3-phenylpropionic acid (CHEBI:51058) is a 3-hydroxy-3-phenylpropionic acid (CHEBI:19929)
3-hydroxy-3-phenylpropionate (CHEBI:63469) is conjugate base of 3-hydroxy-3-phenylpropionic acid (CHEBI:19929)
IUPAC Name 
3-hydroxy-3-phenylpropanoic acid
Manual XrefsDatabases
CPD-12218MetaCyc
Registry NumbersSources
Reaxys:3197774Reaxys
Citations