CHEBI:25147 - mandelate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name mandelate
ChEBI ID CHEBI:25147
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H7O3
Net Charge -1
Average Mass 151.13938
Monoisotopic Mass 151.04007
InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/p-1
InChIKey IWYDHOAUDWTVEP-UHFFFAOYSA-M
SMILES OC(C([O-])=O)c1ccccc1
ChEBI Ontology
Outgoing mandelate (CHEBI:25147) has functional parent acetate (CHEBI:30089)
mandelate (CHEBI:25147) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
mandelate (CHEBI:25147) is conjugate base of mandelic acid (CHEBI:35825)
Incoming 4-hydroxymandelate (CHEBI:32804) has functional parent mandelate (CHEBI:25147)
vanillylmandelate (CHEBI:27622) has functional parent mandelate (CHEBI:25147)
(R)-mandelate (CHEBI:32382) is a mandelate (CHEBI:25147)
(S)-mandelate (CHEBI:17756) is a mandelate (CHEBI:25147)
mandelic acid (CHEBI:35825) is conjugate acid of mandelate (CHEBI:25147)
IUPAC Name
hydroxy(phenyl)acetate
Synonyms Sources
2-hydroxy-2-(4-hydroxyphenyl)acetate ChEBI
α-hydroxybenzeneacetate ChEBI
α-hydroxybenzeneacetic acid, ion(1−) ChemIDplus
mandelate ion ChemIDplus
Registry Numbers Types Sources
328159 Gmelin Registry Number Gmelin
3905858 Beilstein Registry Number Beilstein
4135334 Beilstein Registry Number Beilstein
769-61-9 CAS Registry Number ChemIDplus
Last Modified
22 June 2006