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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:8100 - 3-phenyllactate
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ChEBI Ontology
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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.
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This entity has been manually annotated by the ChEBI Team.
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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