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
Save molfile Download Molfile
more structures >>
Formula C8H8O3
Net Charge 0
Average Mass 152.14730
Monoisotopic Mass 152.047
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 (Bronsted base).
(via oxoacid )
Biological Role(s): antibacterial agent
A substance 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 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
(2S)-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
Database Links 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
28 July 2014