CHEBI:145681 - β-D-glucosyl salicylate

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ChEBI Name β-D-glucosyl salicylate
ChEBI ID CHEBI:145681
ChEBI ASCII Name beta-D-glucosyl salicylate
Definition A D-glucosyl salicylate in which the glucosyl moiety has β-configuration at the anomeric centre. A transferrin binding compound used in research for cancer therapy.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C13H16O8
Net Charge 0
Average Mass 300.263
Monoisotopic Mass 300.08452
InChI InChI=1S/C13H16O8/c14-5-8-9(16)10(17)11(18)13(20-8)21-12(19)6-3-1-2-4-7(6)15/h1-4,8-11,13-18H,5H2/t8-,9-,10+,11-,13+/m1/s1
InChIKey XNHKMZHWRNMFCU-HMUNZLOLSA-N
SMILES O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OC(C=2C(=CC=CC2)O)=O)O)O)O)CO
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via D-glucosyl salicylate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing β-D-glucosyl salicylate (CHEBI:145681) is a β-D-glucoside (CHEBI:22798)
β-D-glucosyl salicylate (CHEBI:145681) is a D-glucosyl salicylate (CHEBI:133564)
IUPAC Name
1-O-(2-hydroxybenzoyl)-β-D-glucopyranose
Synonyms Sources
1-O-(o-hydroxybenzoyl)-β-D-glucopyranose ChEBI
1-O-salicyl-β-D-glucose ChEBI
1-O-salicyl-β-D-glucose UniProt
β-D-glucopyranosyl salicylate ChEBI
salicylate-β-D-glucose ester SUBMITTER
salicylic acid acyl β-D-glucoside ChEBI
salicylic acid β-D-glucopyranosyl ester ChEBI
salicylic acid β-D-glucose ester MetaCyc
Manual Xref Database
CPD-12629 MetaCyc
View more database links
Registry Number Type Source
60517-74-0 CAS Registry Number PubChem
Last Modified
06 January 2020