CHEBI:133026 - salicyluric β-D-glucuronide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name salicyluric β-D-glucuronide
ChEBI ID CHEBI:133026
ChEBI ASCII Name salicyluric beta-D-glucuronide
Definition A carboxylic ester resulting from the formal condensation of the carboxy group of salicyluric acid with the anomeric hydroxy group of β-D-glucuronic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H17NO10
Net Charge 0
Average Mass 371.297
Monoisotopic Mass 371.08525
InChI InChI=1S/C15H17NO10/c17-7-4-2-1-3-6(7)13(22)16-5-8(18)25-15-11(21)9(19)10(20)12(26-15)14(23)24/h1-4,9-12,15,17,19-21H,5H2,(H,16,22)(H,23,24)/t9-,10-,11+,12-,15+/m0/s1
InChIKey OEPADIDIUZTYOX-QKZHPOIUSA-N
SMILES [C@H]1(C(O)=O)O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OC(=O)CNC(C2=C(C=CC=C2)O)=O
ChEBI Ontology
Outgoing salicyluric β-D-glucuronide (CHEBI:133026) has functional parent salicyluric acid (CHEBI:9008)
salicyluric β-D-glucuronide (CHEBI:133026) is a β-D-glucosiduronic acid (CHEBI:15341)
salicyluric β-D-glucuronide (CHEBI:133026) is a O-acyl carbohydrate (CHEBI:52782)
salicyluric β-D-glucuronide (CHEBI:133026) is conjugate acid of salicyluric β-D-glucuronide(1−) (CHEBI:133027)
Incoming salicyluric β-D-glucuronide(1−) (CHEBI:133027) is conjugate base of salicyluric β-D-glucuronide (CHEBI:133026)
IUPAC Name
1-O-[N-(2-hydroxybenzoyl)glycyl]-β-D-glucopyranuronic acid
Synonyms Sources
1-O-[N-(2-hydroxybenzoyl)glycyl]-β-D-glucronic acid ChEBI
1-O-salicyluroyl-β-D-glucuronic acid ChEBI
salicyluric glucuronide ChEBI
Last Modified
16 August 2016