CHEBI:8100 - 3-phenyllactate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-phenyllactate
ChEBI ID CHEBI:8100
Definition A 2-hydroxy carboxylate that results from the removal of a proton from the carboxylic acid group of 3-phenyllactic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H9O3
Net Charge -1
Average Mass 165.16596
Monoisotopic Mass 165.05572
InChI InChI=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
InChIKey VOXXWSYKYCBWHO-UHFFFAOYSA-M
SMILES OC(Cc1ccccc1)C([O-])=O
ChEBI Ontology
Outgoing 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 (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
Synonyms Sources
3-phenyllactate UniProt
phenyllactate ChEBI
Registry Number Type Source
3667177 Reaxys Registry Number Reaxys
Last Modified
10 April 2017