CHEBI:17756 - (S)-mandelate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Supplier Information
Download Molfile XML SDF
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
(2S)-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