CHEBI:32802 - (S)-4-hydroxymandelic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-4-hydroxymandelic acid
ChEBI ID CHEBI:32802
ChEBI ASCII Name (S)-4-hydroxymandelic acid
Definition A 4-hydroxymandelic acid that has S-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:18758, CHEBI:405
Supplier Information
Download Molfile XML SDF
Formula C8H8O4
Net Charge 0
Average Mass 168.14672
Monoisotopic Mass 168.04226
InChI InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m0/s1
InChIKey YHXHKYRQLYQUIH-ZETCQYMHSA-N
SMILES O[C@H](C(O)=O)c1ccc(O)cc1
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): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via 4-hydroxymandelic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-4-hydroxymandelic acid (CHEBI:32802) is a (2S)-2-hydroxy monocarboxylic acid (CHEBI:17375)
(S)-4-hydroxymandelic acid (CHEBI:32802) is a 4-hydroxymandelic acid (CHEBI:16388)
(S)-4-hydroxymandelic acid (CHEBI:32802) is conjugate acid of (S)-4-hydroxymandelate (CHEBI:17210)
(S)-4-hydroxymandelic acid (CHEBI:32802) is enantiomer of (R)-4-hydroxymandelic acid (CHEBI:32803)
Incoming (S)-4-hydroxymandelate (CHEBI:17210) is conjugate base of (S)-4-hydroxymandelic acid (CHEBI:32802)
(R)-4-hydroxymandelic acid (CHEBI:32803) is enantiomer of (S)-4-hydroxymandelic acid (CHEBI:32802)
IUPAC Name
(2S)-hydroxy(4-hydroxyphenyl)acetic acid
Synonyms Sources
(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate KEGG COMPOUND
(S)-4-Hydroxymandelate KEGG COMPOUND
4-hydroxy-L-mandelic acid ChEBI
Manual Xrefs Databases
C03198 KEGG COMPOUND
HHH PDBeChem
View more database links
Registry Numbers Types Sources
3199921 Beilstein Registry Number Beilstein
3199921 Reaxys Registry Number Reaxys
Last Modified
04 May 2018