EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:16388 - 4-hydroxymandelic acid

ChEBI IDCHEBI:16388
ChEBI Name4-hydroxymandelic acid
Stars
DefinitionA 2-hydroxy carboxylic acid that is mandelic acid bearing a phenolic hydroxy substituent at position 4.
Secondary ChEBI IDsCHEBI:1869, CHEBI:20410
Last Modified23 October 2015
DownloadsMolfile
FormulaC8H8O4
Net Charge0
Average Mass168.148
Monoisotopic Mass168.04226
SMILESO=C(O)C(O)c1ccc(O)cc1
InChIInChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)
InChIKeyYHXHKYRQLYQUIH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
4-hydroxymandelic acid (CHEBI:16388) has functional parent mandelic acid (CHEBI:35825)
4-hydroxymandelic acid (CHEBI:16388) has role metabolite (CHEBI:25212)
4-hydroxymandelic acid (CHEBI:16388) is a 2-hydroxy carboxylic acid (CHEBI:52618)
4-hydroxymandelic acid (CHEBI:16388) is a phenols (CHEBI:33853)
4-hydroxymandelic acid (CHEBI:16388) is conjugate acid of 4-hydroxymandelate (CHEBI:32804)
Incoming Relation(s)
(R)-4-hydroxymandelic acid (CHEBI:32803) is a 4-hydroxymandelic acid (CHEBI:16388)
(S)-4-hydroxymandelic acid (CHEBI:32802) is a 4-hydroxymandelic acid (CHEBI:16388)
4-hydroxymandelate (CHEBI:32804) is conjugate base of 4-hydroxymandelic acid (CHEBI:16388)
IUPAC Name 
hydroxy(4-hydroxyphenyl)acetic acid
Synonyms  Source
4-hydroxymandelic acidChEBI
4-hydroxymandelic acidChemIDplus
4-hydroxyphenylglycolic acidChemIDplus
4-Hydroxymandelic acidKEGG COMPOUND
Manual XrefsDatabases
C11527KEGG COMPOUND
HMDB0000822HMDB
Registry NumbersSources
Gmelin:486823Gmelin
Reaxys:2365374Reaxys
CAS:1198-84-1ChemIDplus
Citations