CHEBI:32804 - 4-hydroxymandelate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-hydroxymandelate
ChEBI ID CHEBI:32804
Definition A 2-hydroxycarboxylate that is obtained by removal of a proton from the carboxylic acid group of 4-hydroxymandelic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20409, CHEBI:12008
Supplier Information
Download Molfile XML SDF
Formula C8H7O4
Net Charge -1
Average Mass 167.13878
Monoisotopic Mass 167.03498
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)/p-1
InChIKey YHXHKYRQLYQUIH-UHFFFAOYSA-M
SMILES OC(C([O-])=O)c1ccc(O)cc1
ChEBI Ontology
Outgoing 4-hydroxymandelate (CHEBI:32804) has functional parent mandelate (CHEBI:25147)
4-hydroxymandelate (CHEBI:32804) is a 2-hydroxy carboxylate (CHEBI:58896)
4-hydroxymandelate (CHEBI:32804) is a phenols (CHEBI:33853)
4-hydroxymandelate (CHEBI:32804) is conjugate base of 4-hydroxymandelic acid (CHEBI:16388)
Incoming (R)-4-hydroxymandelate (CHEBI:27996) is a 4-hydroxymandelate (CHEBI:32804)
(S)-4-hydroxymandelate (CHEBI:17210) is a 4-hydroxymandelate (CHEBI:32804)
4-hydroxymandelic acid (CHEBI:16388) is conjugate acid of 4-hydroxymandelate (CHEBI:32804)
IUPAC Name
hydroxy(4-hydroxyphenyl)acetate
Synonym Source
2-hydroxy-2-(4-hydroxyphenyl)acetate UniProt
Last Modified
16 January 2020