CHEBI:17210 - (S)-4-hydroxymandelate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-4-hydroxymandelate
ChEBI ID CHEBI:17210
ChEBI ASCII Name (S)-4-hydroxymandelate
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11032, CHEBI:11052, CHEBI:18757
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/t7-/m0/s1
InChIKey YHXHKYRQLYQUIH-ZETCQYMHSA-M
SMILES O[C@H](C([O-])=O)c1ccc(O)cc1
ChEBI Ontology
Outgoing (S)-4-hydroxymandelate (CHEBI:17210) is a 4-hydroxymandelate (CHEBI:32804)
(S)-4-hydroxymandelate (CHEBI:17210) is conjugate base of (S)-4-hydroxymandelic acid (CHEBI:32802)
(S)-4-hydroxymandelate (CHEBI:17210) is enantiomer of (R)-4-hydroxymandelate (CHEBI:27996)
Incoming (S)-4-hydroxymandelic acid (CHEBI:32802) is conjugate acid of (S)-4-hydroxymandelate (CHEBI:17210)
(R)-4-hydroxymandelate (CHEBI:27996) is enantiomer of (S)-4-hydroxymandelate (CHEBI:17210)
IUPAC Name
(2S)-hydroxy(4-hydroxyphenyl)acetate
Synonym Source
(S)-4-hydroxymandelate UniProt
Manual Xref Database
C03198 KEGG COMPOUND
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Last Modified
01 February 2012