EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:17756 - (S)-mandelate

ChEBI IDCHEBI:17756
ChEBI Name(S)-mandelate
Stars
ASCII Name(S)-mandelate
Secondary ChEBI IDsCHEBI:11034, CHEBI:11067, CHEBI:18786
Last Modified15 July 2014
DownloadsMolfile
FormulaC8H7O3
Net Charge-1
Average Mass151.141
Monoisotopic Mass151.04007
SMILESO=C([O-])[C@@H](O)c1ccccc1
InChIInChI=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
InChIKeyIWYDHOAUDWTVEP-ZETCQYMHSA-M
ChEBI Ontology
Outgoing Relation(s)
(S)-mandelate (CHEBI:17756) is a mandelate (CHEBI:25147)
(S)-mandelate (CHEBI:17756) is conjugate base of (S)-mandelic acid (CHEBI:32800)
Incoming Relation(s)
(S)-mandelic acid (CHEBI:32800) is conjugate acid of (S)-mandelate (CHEBI:17756)
IUPAC Name 
(2S)-hydroxy(phenyl)acetate
UniProt Name  Source
(S)-mandelateUniProt
Manual XrefsDatabases
C01984KEGG COMPOUND
c0154UM-BBD
Registry NumbersSources
Gmelin:328160Gmelin
CAS:17199-29-0UM-BBD