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CHEBI:8100 - 3-phenyllactate

ChEBI IDCHEBI:8100
ChEBI Name3-phenyllactate
Stars
DefinitionA 2-hydroxy carboxylate that results from the removal of a proton from the carboxylic acid group of 3-phenyllactic acid.
Last Modified10 April 2017
DownloadsMolfile
FormulaC9H9O3
Net Charge-1
Average Mass165.168
Monoisotopic Mass165.05572
SMILESO=C([O-])C(O)Cc1ccccc1
InChIInChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/p-1
InChIKeyVOXXWSYKYCBWHO-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3-phenyllactate (CHEBI:8100) has functional parent lactate (CHEBI:24996)
3-phenyllactate (CHEBI:8100) is a 2-hydroxy carboxylate (CHEBI:58896)
3-phenyllactate (CHEBI:8100) is conjugate base of 3-phenyllactic acid (CHEBI:25998)
Incoming Relation(s)
(R)-3-phenyllactate (CHEBI:11009) is a 3-phenyllactate (CHEBI:8100)
(S)-3-phenyllactate (CHEBI:32979) is a 3-phenyllactate (CHEBI:8100)
3-phenyllactic acid (CHEBI:25998) is conjugate acid of 3-phenyllactate (CHEBI:8100)
IUPAC Name 
2-hydroxy-3-phenylpropanoate
Synonym  Source
phenyllactateChEBI
UniProt Name  Source
3-phenyllactateUniProt
Registry NumbersSources
Reaxys:3667177Reaxys