CHEBI:73961 - 1-salicylate glucuronide

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ChEBI Name 1-salicylate glucuronide
Definition A β-D-glucosiduronic acid that is the glucuronide conjugate of salicyclic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H14O9
Net Charge 0
Average Mass 314.24490
Monoisotopic Mass 314.06378
InChI InChI=1S/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-4-2-1-3-5(6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20)/t7-,8-,9+,10-,13+/m0/s1
SMILES O[C@H]1[C@@H](O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O)Oc1ccccc1C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-salicylate glucuronide (CHEBI:73961) has functional parent salicylic acid (CHEBI:16914)
1-salicylate glucuronide (CHEBI:73961) has role metabolite (CHEBI:25212)
1-salicylate glucuronide (CHEBI:73961) is a β-D-glucosiduronic acid (CHEBI:15341)
1-salicylate glucuronide (CHEBI:73961) is a benzoic acids (CHEBI:22723)
2-carboxyphenyl β-D-glucopyranosiduronic acid
Manual Xref Database
HMDB0010313 HMDB
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Registry Numbers Types Sources
42422 Reaxys Registry Number Reaxys
7695-70-7 CAS Registry Number ChemIDplus
Last Modified
25 September 2013