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CHEBI:25998 - 3-phenyllactic acid

ChEBI IDCHEBI:25998
ChEBI Name3-phenyllactic acid
Stars
DefinitionA 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by a phenyl group.
Last Modified23 October 2015
DownloadsMolfile
FormulaC9H10O3
Net Charge0
Average Mass166.176
Monoisotopic Mass166.06299
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)
InChIKeyVOXXWSYKYCBWHO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-phenyllactic acid (CHEBI:25998) has functional parent rac-lactic acid (CHEBI:28358)
3-phenyllactic acid (CHEBI:25998) has role human metabolite (CHEBI:77746)
3-phenyllactic acid (CHEBI:25998) is a 2-hydroxy monocarboxylic acid (CHEBI:49302)
3-phenyllactic acid (CHEBI:25998) is conjugate acid of 3-phenyllactate (CHEBI:8100)
Incoming Relation(s)
(R)-3-phenyllactic acid (CHEBI:32978) is a 3-phenyllactic acid (CHEBI:25998)
(S)-3-phenyllactic acid (CHEBI:43065) is a 3-phenyllactic acid (CHEBI:25998)
3-phenyllactate (CHEBI:8100) is conjugate base of 3-phenyllactic acid (CHEBI:25998)
IUPAC Name 
2-hydroxy-3-phenylpropanoic acid
Synonyms  Source
β-phenyllactic acidChEBI
DL-β-phenyllactic acidChemIDplus
2-hydroxy-3-phenylpropionic acidChEBI
DL-3-phenyllactic acidChemIDplus
Manual XrefsDatabases
HMDB0000779HMDB
CPD-7999MetaCyc
Registry NumbersSources
Reaxys:2209791Reaxys
CAS:828-01-3ChemIDplus
Citations