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

ChEBI IDCHEBI:32802
ChEBI Name(S)-4-hydroxymandelic acid
Stars
ASCII Name(S)-4-hydroxymandelic acid
DefinitionA 4-hydroxymandelic acid that has S-configuration.
Secondary ChEBI IDsCHEBI:405, CHEBI:18758
Last Modified4 May 2018
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H8O4
Net Charge0
Average Mass168.148
Monoisotopic Mass168.04226
SMILESO=C(O)[C@@H](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)/t7-/m0/s1
InChIKeyYHXHKYRQLYQUIH-ZETCQYMHSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
(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 Relation(s)
(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  Source
(S)-4-HydroxymandelateKEGG COMPOUND
(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetateKEGG COMPOUND
4-hydroxy-L-mandelic acidChEBI
Manual XrefsDatabases
C03198KEGG COMPOUND
HHHPDBeChem
Registry NumbersSources
Reaxys:3199921Reaxys