Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:25998 - 3-phenyllactic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
3-phenyllactic acid
ChEBI ID
CHEBI:25998
Definition
A 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by a phenyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C9H10O3
Net Charge
0
Average Mass
166.17390
Monoisotopic Mass
166.06299
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)
InChIKey
VOXXWSYKYCBWHO-UHFFFAOYSA-N
SMILES
OC(Cc1ccccc1)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
(
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
Sources
2-hydroxy-3-phenylpropionic acid
ChEBI
β-phenyllactic acid
ChEBI
D
L
-3-phenyllactic acid
ChemIDplus
D
L
-β-phenyllactic acid
ChemIDplus
Manual Xrefs
Databases
CPD-7999
MetaCyc
HMDB0000779
HMDB
View more database links
Registry Numbers
Types
Sources
2209791
Reaxys Registry Number
Reaxys
828-01-3
CAS Registry Number
ChemIDplus
Citation
Type
Source
22770225
PubMed citation
Europe PMC
Last Modified
23 October 2015