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Examples:
iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:17756 - (
S
)-mandelate
Main
ChEBI Ontology
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ChEBI Name
(
S
)-mandelate
ChEBI ID
CHEBI:17756
ChEBI ASCII Name
(S)-mandelate
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:11034, CHEBI:18786, CHEBI:11067
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Formula
C8H7O3
Net Charge
-1
Average Mass
151.13938
Monoisotopic Mass
151.04007
InChI
InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/p-1/t7-/m0/s1
InChIKey
IWYDHOAUDWTVEP-ZETCQYMHSA-M
SMILES
O[C@H](C([O-])=O)c1ccccc1
ChEBI Ontology
Outgoing
(
S
)-mandelate (
CHEBI:17756
)
is a
mandelate (
CHEBI:25147
)
(
S
)-mandelate (
CHEBI:17756
)
is conjugate base of
(
S
)-mandelic acid (
CHEBI:32800
)
Incoming
(
S
)-mandelic acid (
CHEBI:32800
)
is conjugate acid of
(
S
)-mandelate (
CHEBI:17756
)
IUPAC Name
(2
S
)-hydroxy(phenyl)acetate
Synonym
Source
(
S
)-mandelate
UniProt
Manual Xrefs
Databases
c0154
UM-BBD
C01984
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
17199-29-0
CAS Registry Number
UM-BBD
328160
Gmelin Registry Number
Gmelin
Last Modified
15 July 2014