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:32800 - (
S
)-mandelic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
(
S
)-mandelic acid
ChEBI ID
CHEBI:32800
ChEBI ASCII Name
(S)-mandelic acid
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:45767, CHEBI:18787, CHEBI:424
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
expand
Formula
C8H8O3
Net Charge
0
Average Mass
152.14730
Monoisotopic Mass
152.04734
InChI
InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m0/s1
InChIKey
IWYDHOAUDWTVEP-ZETCQYMHSA-N
SMILES
O[C@H](C(O)=O)c1ccccc1
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):
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
(via
mandelic acid
)
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
(via
mandelic acid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
S
)-mandelic acid (
CHEBI:32800
)
is a
(2
S
)-2-hydroxy monocarboxylic acid (
CHEBI:17375
)
(
S
)-mandelic acid (
CHEBI:32800
)
is a
mandelic acid (
CHEBI:35825
)
(
S
)-mandelic acid (
CHEBI:32800
)
is conjugate acid of
(
S
)-mandelate (
CHEBI:17756
)
(
S
)-mandelic acid (
CHEBI:32800
)
is enantiomer of
(
R
)-mandelic acid (
CHEBI:17656
)
Incoming
(
S
)-mandelate (
CHEBI:17756
)
is conjugate base of
(
S
)-mandelic acid (
CHEBI:32800
)
(
R
)-mandelic acid (
CHEBI:17656
)
is enantiomer of
(
S
)-mandelic acid (
CHEBI:32800
)
IUPAC Name
(2
S
)-hydroxy(phenyl)acetic acid
Synonyms
Sources
(S)-2-Hydroxy-2-phenylacetic acid
KEGG COMPOUND
(
S
)-α-hydroxybenzeneacetic acid
ChemIDplus
(S)-Mandelic acid
KEGG COMPOUND
(S)-MANDELIC ACID
PDBeChem
(
S
)-Mandelsäure
ChEBI
L
-mandelic acid
ChemIDplus
Manual Xrefs
Databases
C01984
KEGG COMPOUND
DB03357
DrugBank
SMN
PDBeChem
View more database links
Registry Numbers
Types
Sources
17199-29-0
CAS Registry Number
ChemIDplus
2208678
Beilstein Registry Number
Beilstein
611-72-3
CAS Registry Number
KEGG COMPOUND
69017
Gmelin Registry Number
Gmelin
90-64-2
CAS Registry Number
KEGG COMPOUND
Last Modified
04 May 2018